 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer04_STD_wB97XD_augccpVDZ.in
 Output=12_L-valine_conformer04_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-8691.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      8696.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer04_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer04_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.639760000000      0.584137000000      1.110557000000
  C                                                 1.310612000000      0.014006000000     -0.268656000000
  C                                                -0.108060000000      0.405959000000     -0.756755000000
  C                                                -1.184071000000     -0.188475000000      0.144559000000
  O                                                -1.578202000000     -1.419243000000     -0.255187000000
  C                                                 1.550309000000     -1.494532000000     -0.314629000000
  N                                                -0.225553000000      1.853842000000     -0.868439000000
  O                                                -1.649297000000      0.352803000000      1.115054000000
  H                                                -0.237834000000     -0.025399000000     -1.750522000000
  H                                                 1.972519000000      0.490983000000     -0.996628000000
  H                                                -2.240025000000     -1.728348000000      0.384417000000
  H                                                -1.052677000000      2.098260000000     -1.400434000000
  H                                                -0.352008000000      2.257550000000      0.053469000000
  H                                                 1.298171000000     -1.912990000000     -1.290687000000
  H                                                 2.600947000000     -1.711329000000     -0.114938000000
  H                                                 0.956373000000     -2.021608000000      0.434148000000
  H                                                 1.551693000000      1.670626000000      1.129751000000
  H                                                 0.982941000000      0.175809000000      1.881037000000
  H                                                 2.667461000000      0.334501000000      1.380071000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528272   0.000000
     3  C    2.563879   1.550644   0.000000
     4  C    3.082873   2.536767   1.524309   0.000000
     5  O    4.029152   3.224846   2.396717   1.352748   0.000000
     6  C    2.521908   1.528154   2.560767   3.064877   3.129981
     7  N    3.001328   2.470737   1.456929   2.473051   3.594276
     8  O    3.297185   3.284889   2.425264   1.204690   2.241152
     9  H    3.476013   2.143634   1.091093   2.124451   2.444466
    10  H    2.135330   1.093422   2.096086   3.424621   4.099551
    11  H    4.574669   4.008656   3.225339   1.882493   0.970901
    12  H    3.980812   3.348159   2.042182   2.762865   3.736388
    13  H    2.808004   2.810971   2.035771   2.585278   3.888139
    14  H    3.481135   2.181288   2.764072   3.345954   3.096703
    15  H    2.773965   2.159948   3.497650   4.088127   4.191691
    16  H    2.777491   2.182463   2.905916   2.832974   2.694828
    17  H    1.090221   2.181296   2.813018   3.451270   4.611029
    18  H    1.091688   2.180534   2.863774   2.800714   3.696904
    19  H    1.091387   2.159180   3.503519   4.078516   4.875996
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.830405   0.000000
     8  O    3.961580   2.866079   0.000000
     9  H    2.723526   2.075998   3.216643   0.000000
    10  H    2.141414   2.589467   4.194740   2.391792   0.000000
    11  H    3.861343   4.296491   2.283414   3.386262   4.957645
    12  H    4.567566   1.013357   3.119336   2.301404   3.449378
    13  H    4.222846   1.014340   2.537318   2.911920   3.102723
    14  H    1.091499   4.085224   4.428202   2.476643   2.514021
    15  H    1.091200   4.611649   4.882427   3.684586   2.454074
    16  H    1.091438   4.255913   3.590401   3.191201   3.064765
    17  H    3.479147   2.680473   3.461677   3.791422   2.467821
    18  H    2.816539   3.440330   2.747132   3.836535   3.059339
    19  H    2.732288   3.966576   4.324924   4.286126   2.481155
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.386162   0.000000
    13  H    4.422840   1.621772   0.000000
    14  H    3.919043   4.650662   4.682227   0.000000
    15  H    4.866688   5.432719   4.949778   1.766431   0.000000
    16  H    3.210208   4.937133   4.490876   1.761726   1.761361
    17  H    5.146423   3.656152   2.264275   4.331870   3.753372
    18  H    4.031525   4.313654   3.075019   3.810812   3.187969
    19  H    5.415726   4.968046   3.817746   3.749549   2.534738
                   16         17         18         19
    16  H    0.000000
    17  H    3.804059   0.000000
    18  H    2.631128   1.767028   0.000000
    19  H    3.061673   1.758644   1.764584   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.18D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3816096           1.7859734           1.4243546
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       411.0480391764 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0121492258 Hartrees.
 Nuclear repulsion after empirical dispersion term =      411.0358899506 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.40D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer04_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.308596162751    
 DIIS: error= 1.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.308596162751     IErMin= 1 ErrMin= 1.55D-03
 ErrMax= 1.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-03 BMatP= 5.46D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.407 Goal=   None    Shift=    0.000
 GapD=    0.407 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.08D-02 MaxDP=8.90D-01              OVMax= 1.66D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.08D-02    CP:  1.04D+00
 E= -402.313277720461     Delta-E=       -0.004681557711 Rises=F Damp=F
 DIIS: error= 2.76D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.313277720461     IErMin= 2 ErrMin= 2.76D-04
 ErrMax= 2.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 5.46D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.76D-03
 Coeff-Com: -0.487D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.486D-01 0.105D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.77D-03 MaxDP=1.55D-01 DE=-4.68D-03 OVMax= 5.96D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.32D-04    CP:  1.04D+00  1.15D+00
 E= -402.313408163238     Delta-E=       -0.000130442777 Rises=F Damp=F
 DIIS: error= 3.11D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.313408163238     IErMin= 2 ErrMin= 2.76D-04
 ErrMax= 3.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-05 BMatP= 1.10D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.11D-03
 Coeff-Com: -0.423D-01 0.512D+00 0.530D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.422D-01 0.511D+00 0.532D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.63D-04 MaxDP=9.55D-03 DE=-1.30D-04 OVMax= 1.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.27D-05    CP:  1.04D+00  1.16D+00  1.11D+00
 E= -402.313469244145     Delta-E=       -0.000061080907 Rises=F Damp=F
 DIIS: error= 4.20D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.313469244145     IErMin= 4 ErrMin= 4.20D-05
 ErrMax= 4.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-06 BMatP= 8.67D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.380D-03-0.516D-01 0.751D-01 0.977D+00
 Coeff:     -0.380D-03-0.516D-01 0.751D-01 0.977D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.44D-04 MaxDP=9.56D-03 DE=-6.11D-05 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.49D-05    CP:  1.04D+00  1.17D+00  1.24D+00  1.67D+00
 E= -402.313472910736     Delta-E=       -0.000003666590 Rises=F Damp=F
 DIIS: error= 2.60D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.313472910736     IErMin= 5 ErrMin= 2.60D-05
 ErrMax= 2.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-07 BMatP= 2.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.295D-02-0.609D-01-0.905D-02 0.439D+00 0.628D+00
 Coeff:      0.295D-02-0.609D-01-0.905D-02 0.439D+00 0.628D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=2.20D-03 DE=-3.67D-06 OVMax= 2.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.65D-06    CP:  1.04D+00  1.17D+00  1.26D+00  1.86D+00  1.19D+00
 E= -402.313473525682     Delta-E=       -0.000000614947 Rises=F Damp=F
 DIIS: error= 7.47D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.313473525682     IErMin= 6 ErrMin= 7.47D-06
 ErrMax= 7.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.93D-08 BMatP= 6.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-02-0.228D-01-0.147D-01 0.806D-01 0.306D+00 0.649D+00
 Coeff:      0.153D-02-0.228D-01-0.147D-01 0.806D-01 0.306D+00 0.649D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.78D-06 MaxDP=1.21D-03 DE=-6.15D-07 OVMax= 1.32D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.04D+00  1.17D+00  1.26D+00  1.93D+00  1.28D+00
                    CP:  1.15D+00
 E= -402.313473620629     Delta-E=       -0.000000094946 Rises=F Damp=F
 DIIS: error= 2.69D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.313473620629     IErMin= 7 ErrMin= 2.69D-06
 ErrMax= 2.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-09 BMatP= 9.93D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.606D-05 0.301D-02-0.293D-02-0.510D-01 0.360D-02 0.227D+00
 Coeff-Com:  0.821D+00
 Coeff:     -0.606D-05 0.301D-02-0.293D-02-0.510D-01 0.360D-02 0.227D+00
 Coeff:      0.821D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.96D-06 MaxDP=6.09D-04 DE=-9.49D-08 OVMax= 7.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.19D-06    CP:  1.04D+00  1.17D+00  1.26D+00  1.95D+00  1.32D+00
                    CP:  1.20D+00  1.26D+00
 E= -402.313473634825     Delta-E=       -0.000000014196 Rises=F Damp=F
 DIIS: error= 8.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.313473634825     IErMin= 8 ErrMin= 8.24D-07
 ErrMax= 8.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.58D-10 BMatP= 8.71D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-03 0.271D-02 0.580D-03-0.204D-01-0.254D-01-0.153D-01
 Coeff-Com:  0.204D+00 0.854D+00
 Coeff:     -0.131D-03 0.271D-02 0.580D-03-0.204D-01-0.254D-01-0.153D-01
 Coeff:      0.204D+00 0.854D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.92D-07 MaxDP=5.17D-05 DE=-1.42D-08 OVMax= 2.48D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.31D-07    CP:  1.04D+00  1.17D+00  1.26D+00  1.95D+00  1.32D+00
                    CP:  1.21D+00  1.36D+00  1.13D+00
 E= -402.313473636073     Delta-E=       -0.000000001248 Rises=F Damp=F
 DIIS: error= 2.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.313473636073     IErMin= 9 ErrMin= 2.75D-07
 ErrMax= 2.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-11 BMatP= 6.58D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.279D-04 0.343D-03 0.377D-03-0.165D-03-0.488D-02-0.245D-01
 Coeff-Com: -0.247D-01 0.187D+00 0.867D+00
 Coeff:     -0.279D-04 0.343D-03 0.377D-03-0.165D-03-0.488D-02-0.245D-01
 Coeff:     -0.247D-01 0.187D+00 0.867D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.36D-07 MaxDP=1.68D-05 DE=-1.25D-09 OVMax= 7.63D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.27D-07    CP:  1.04D+00  1.17D+00  1.26D+00  1.95D+00  1.31D+00
                    CP:  1.20D+00  1.38D+00  1.21D+00  1.08D+00
 E= -402.313473636220     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 7.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.313473636220     IErMin=10 ErrMin= 7.76D-08
 ErrMax= 7.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-12 BMatP= 5.21D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.845D-05-0.242D-03 0.118D-04 0.240D-02 0.238D-02-0.378D-02
 Coeff-Com: -0.292D-01-0.637D-01 0.171D+00 0.921D+00
 Coeff:      0.845D-05-0.242D-03 0.118D-04 0.240D-02 0.238D-02-0.378D-02
 Coeff:     -0.292D-01-0.637D-01 0.171D+00 0.921D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.37D-07 MaxDP=1.65D-05 DE=-1.47D-10 OVMax= 3.05D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.96D-08    CP:  1.04D+00  1.17D+00  1.26D+00  1.95D+00  1.31D+00
                    CP:  1.20D+00  1.38D+00  1.22D+00  1.17D+00  1.24D+00
 E= -402.313473636250     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 2.66D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.313473636250     IErMin=11 ErrMin= 2.66D-08
 ErrMax= 2.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.23D-13 BMatP= 5.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.536D-05-0.107D-03-0.341D-04 0.727D-03 0.124D-02 0.101D-02
 Coeff-Com: -0.643D-02-0.352D-01-0.236D-01 0.279D+00 0.784D+00
 Coeff:      0.536D-05-0.107D-03-0.341D-04 0.727D-03 0.124D-02 0.101D-02
 Coeff:     -0.643D-02-0.352D-01-0.236D-01 0.279D+00 0.784D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=1.57D-06 DE=-2.98D-11 OVMax= 6.98D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.04D+00  1.17D+00  1.26D+00  1.95D+00  1.31D+00
                    CP:  1.20D+00  1.38D+00  1.21D+00  1.18D+00  1.31D+00
                    CP:  1.07D+00
 E= -402.313473636210     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 7.69D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -402.313473636250     IErMin=12 ErrMin= 7.69D-09
 ErrMax= 7.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.87D-14 BMatP= 7.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.808D-07 0.912D-05-0.717D-05-0.150D-03-0.301D-04 0.607D-03
 Coeff-Com:  0.198D-02 0.595D-03-0.253D-01-0.530D-01 0.160D+00 0.915D+00
 Coeff:     -0.808D-07 0.912D-05-0.717D-05-0.150D-03-0.301D-04 0.607D-03
 Coeff:      0.198D-02 0.595D-03-0.253D-01-0.530D-01 0.160D+00 0.915D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.18D-08 MaxDP=1.35D-06 DE= 4.01D-11 OVMax= 3.52D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.23D-09    CP:  1.04D+00  1.17D+00  1.26D+00  1.95D+00  1.31D+00
                    CP:  1.20D+00  1.38D+00  1.21D+00  1.18D+00  1.32D+00
                    CP:  1.12D+00  1.20D+00
 E= -402.313473636203     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 4.48D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -402.313473636250     IErMin=13 ErrMin= 4.48D-09
 ErrMax= 4.48D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-14 BMatP= 6.87D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.646D-06 0.163D-04 0.960D-06-0.150D-03-0.157D-03 0.162D-03
 Coeff-Com:  0.163D-02 0.469D-02-0.756D-02-0.569D-01-0.410D-01 0.372D+00
 Coeff-Com:  0.727D+00
 Coeff:     -0.646D-06 0.163D-04 0.960D-06-0.150D-03-0.157D-03 0.162D-03
 Coeff:      0.163D-02 0.469D-02-0.756D-02-0.569D-01-0.410D-01 0.372D+00
 Coeff:      0.727D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.88D-09 MaxDP=1.70D-07 DE= 6.93D-12 OVMax= 8.52D-08

 SCF Done:  E(RwB97XD) =  -402.313473636     A.U. after   13 cycles
            NFock= 13  Conv=0.29D-08     -V/T= 2.0063
 KE= 3.998093280874D+02 PE=-1.761330366738D+03 EE= 5.481716750634D+02
 Leave Link  502 at Fri Aug 13 10:50:47 2021, MaxMem=  5368709120 cpu:            1728.7 elap:             216.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.67300433D+02

 Leave Link  801 at Fri Aug 13 10:50:48 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.41D-01 4.61D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.37D-02 1.94D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.71D-03 7.69D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.21D-04 1.68D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.52D-06 2.86D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.70D-07 5.44D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 4.32D-09 6.71D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 8.65D-11 1.23D-06.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.15D-12 1.31D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.54D-14 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.816673D+02
      2  0.746313D+00  0.834100D+02
      3 -0.149208D+01  0.162188D+01  0.744946D+02
 Isotropic polarizability for W=    0.088559       79.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.755132D+02 -0.268754D+02  0.277011D+02
      2  -0.382577D+02  0.125542D+02 -0.232160D+02
      3  -0.372554D+02  0.143212D+02 -0.448514D+01
      4  -0.158737D+02  0.368640D+02  0.377154D+01
      5   0.192575D+02  0.329332D+01  0.416136D+02
      6   0.809244D+01 -0.157000D+02  0.924163D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.171412D+01 -0.329640D+01 -0.135532D+01
      2   0.149667D+02 -0.224424D+01  0.257805D+02
      3   0.121047D+02 -0.270756D+02  0.259907D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.478223D+00  0.751600D+01  0.507955D+01
      2   0.844360D+01 -0.432090D+01  0.788690D+02
      3   0.110017D+02 -0.751218D+02  0.479913D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.578598D-01 -0.922629D+00 -0.677180D+00
      2  -0.922629D+00 -0.637753D+00  0.792184D+00
      3  -0.677180D+00  0.792184D+00 -0.779399D+00
 OR G Eigenvalues:    -1.5234    -1.0489     1.2130  Iso=     0.4531
 Eigenvectors:
   (1)   0.155342   0.743574  -0.650359
   (2)   0.693901   0.386451   0.607583
   (3)   0.703115  -0.545668  -0.455934
 w=    0.088559 a.u., Optical Rotation Beta=      0.4531 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      196.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.05D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.75D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.23D-02 2.10D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.45D-03 3.94D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.43D-05 4.96D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.52D-07 3.98D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.55D-09 3.53D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.19D-11 3.31D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 7.11D-14 2.38D-08.
      1 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 5.81D-16 2.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 6.19D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 6.19D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.816673D+02  0.746313D+00 -0.149208D+01
      2   0.746313D+00  0.834100D+02  0.162188D+01
      3  -0.149208D+01  0.162188D+01  0.744946D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.171412D+01 -0.329640D+01 -0.135532D+01
      2   0.149667D+02 -0.224424D+01  0.257805D+02
      3   0.121047D+02 -0.270756D+02  0.259907D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.755132D+02 -0.268754D+02  0.277011D+02
      2  -0.382577D+02  0.125542D+02 -0.232160D+02
      3  -0.372554D+02  0.143212D+02 -0.448514D+01
      4  -0.158737D+02  0.368640D+02  0.377154D+01
      5   0.192575D+02  0.329332D+01  0.416136D+02
      6   0.809244D+01 -0.157000D+02  0.924163D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.603297D+01  0.216068D+01 -0.369904D+01  0.258043D+01  0.959415D+00
      2   0.216068D+01  0.115219D+01  0.346044D-01  0.959415D+00 -0.632243D+01
      3  -0.369904D+01  0.346044D-01  0.195013D+01  0.250218D+00 -0.832810D+00
                 6             7             8             9            10 
      1   0.250218D+00 -0.265325D+01  0.115779D+00  0.245802D+01  0.561540D+01
      2  -0.832810D+00  0.115779D+00  0.979540D-01  0.321129D+01 -0.325219D+01
      3   0.281567D+01  0.245802D+01  0.321129D+01  0.730277D+00  0.311334D+01
                11            12            13            14            15 
      1  -0.325219D+01  0.311334D+01 -0.451187D+01 -0.207755D+01  0.727776D+00
      2  -0.123881D+01  0.156338D+00 -0.207755D+01  0.421150D+01  0.108074D+01
      3   0.156338D+00 -0.273166D+01  0.727776D+00  0.108074D+01 -0.394289D+01
                16            17            18            19            20 
      1   0.556909D+01  0.174297D+00 -0.333117D+01 -0.552257D+01  0.465240D+01
      2   0.174297D+00  0.101178D+01 -0.446322D+01  0.465240D+01  0.178090D+01
      3  -0.333117D+01 -0.446322D+01 -0.100574D+01 -0.214863D+01 -0.102208D+01
                21            22            23            24            25 
      1  -0.214863D+01  0.217389D+01  0.121559D+01  0.322218D-02 -0.313870D+01
      2  -0.102208D+01  0.121559D+01 -0.204231D+01  0.823919D+00 -0.138456D+01
      3   0.113639D+01  0.322218D-02  0.823919D+00  0.286931D+01  0.148502D+01
                26            27            28            29            30 
      1  -0.138456D+01  0.148502D+01  0.565457D-01 -0.231544D+01 -0.784955D-02
      2  -0.113436D+01  0.357139D+01 -0.231544D+01  0.589338D+00  0.130361D+01
      3   0.357139D+01  0.374273D+01 -0.784955D-02  0.130361D+01  0.881337D-01
                31            32            33            34            35 
      1  -0.200191D+01 -0.524995D+00  0.231306D+01 -0.231360D+01  0.189446D+01
      2  -0.524995D+00 -0.505508D+00  0.943144D+00  0.189446D+01  0.522239D+00
      3   0.231306D+01  0.943144D+00 -0.309185D+01  0.101570D+01 -0.231892D+01
                36            37            38            39            40 
      1   0.101570D+01  0.428299D+01  0.710764D+00 -0.279986D+01  0.277246D+00
      2  -0.231892D+01  0.710764D+00  0.177336D+01 -0.146651D+01  0.855839D+00
      3  -0.309696D+01 -0.279986D+01 -0.146651D+01  0.108660D+01 -0.184645D+01
                41            42            43            44            45 
      1   0.855839D+00 -0.184645D+01 -0.414097D+01 -0.290143D+01  0.529762D+00
      2  -0.350610D+01 -0.223838D+01 -0.290143D+01 -0.401557D+01 -0.265475D+00
      3  -0.223838D+01  0.433924D+00  0.529762D+00 -0.265475D+00 -0.262674D+01
                46            47            48            49            50 
      1  -0.562844D+01  0.300368D+01 -0.216205D+01  0.189033D+01  0.202938D+01
      2   0.300368D+01  0.168208D+01  0.454435D-01  0.202938D+01 -0.339275D+01
      3  -0.216205D+01  0.454435D-01  0.277713D+01 -0.186421D+00 -0.501245D+00
                51            52            53            54            55 
      1  -0.186421D+00 -0.232986D+01 -0.772001D-01  0.236593D+01  0.422604D+01
      2  -0.501245D+00 -0.772001D-01  0.499498D-01  0.444353D+01 -0.210068D+01
      3   0.371264D+01  0.236593D+01  0.444353D+01  0.311814D+01  0.247038D+01
                56            57            58            59            60 
      1  -0.210068D+01  0.247038D+01 -0.879364D+00  0.572246D+00 -0.416687D+00
      2   0.131360D+01 -0.128717D+00  0.572246D+00  0.409266D+01 -0.164570D+01
      3  -0.128717D+00  0.152726D+01 -0.416687D+00 -0.164570D+01 -0.119225D+01
                61            62            63            64            65 
      1   0.252058D+01 -0.438489D+00  0.165358D+01 -0.367591D+01  0.179126D+01
      2  -0.438489D+00 -0.193166D+01 -0.879358D+00  0.179126D+01 -0.172399D+01
      3   0.165358D+01 -0.879358D+00 -0.338829D+01  0.306407D+01 -0.743336D+00
                66            67            68            69            70 
      1   0.306407D+01  0.288637D+01 -0.124540D+01 -0.123199D+01  0.469838D+01
      2  -0.743336D+00 -0.124540D+01  0.373167D+01  0.167162D+01 -0.547821D+00
      3  -0.175624D+01 -0.123199D+01  0.167162D+01  0.255424D+01 -0.288683D+01
                71            72            73            74            75 
      1  -0.547821D+00 -0.288683D+01  0.312620D+00 -0.789576D+00 -0.983457D+00
      2   0.294690D+01  0.202348D+01 -0.789576D+00 -0.223852D+00 -0.338811D-01
      3   0.202348D+01  0.777867D+01 -0.983457D+00 -0.338811D-01 -0.601579D+00
                76            77            78            79            80 
      1  -0.112712D+01 -0.303882D+00 -0.192057D+00 -0.109698D+01  0.794486D-01
      2  -0.303882D+00 -0.867350D+00 -0.157267D+01  0.794486D-01 -0.174641D+01
      3  -0.192057D+00 -0.157267D+01 -0.197381D+01 -0.938463D+00 -0.158684D+01
                81            82            83            84            85 
      1  -0.938463D+00  0.308885D+01  0.150019D+01 -0.245253D+01  0.238113D+01
      2  -0.158684D+01  0.150019D+01  0.166432D+01 -0.673936D+00  0.164470D+01
      3  -0.739959D+01 -0.245253D+01 -0.673936D+00  0.254363D+01 -0.863745D+00
                86            87            88            89            90 
      1   0.164470D+01 -0.863745D+00 -0.345011D+01 -0.676614D+00  0.266995D+01
      2   0.136645D+01 -0.144256D+01 -0.676614D+00 -0.176416D+01  0.179751D+01
      3  -0.144256D+01  0.193963D+01  0.266995D+01  0.179751D+01 -0.386032D+01
                91            92            93            94            95 
      1  -0.495276D+01 -0.343346D+01  0.151897D+01 -0.220529D+01 -0.216594D+01
      2  -0.343346D+01 -0.351131D+01  0.110504D+01 -0.216594D+01 -0.345742D+01
      3   0.151897D+01  0.110504D+01 -0.142961D+01  0.766124D+00  0.829010D+00
                96            97            98            99           100 
      1   0.766124D+00  0.331906D+01  0.247031D+01 -0.197473D+01 -0.476450D+01
      2   0.829010D+00  0.247031D+01  0.289577D+01 -0.163953D+01  0.302891D+01
      3  -0.966583D+00 -0.197473D+01 -0.163953D+01  0.170546D+01 -0.275900D+01
               101           102           103           104           105 
      1   0.302891D+01 -0.275900D+01  0.199905D+01 -0.153484D+01  0.777720D+00
      2  -0.251113D+01  0.148485D+01 -0.153484D+01  0.212479D+01 -0.903465D+00
      3   0.148485D+01 -0.209179D+01  0.777720D+00 -0.903465D+00  0.766620D+00
               106           107           108           109           110 
      1  -0.351064D+01  0.144070D+01 -0.207464D+01  0.814912D-01  0.579944D+00
      2   0.144070D+01 -0.189129D+01  0.145158D+01  0.579944D+00 -0.357902D+00
      3  -0.207464D+01  0.145158D+01 -0.230739D+01  0.220210D+00 -0.520234D+00
               111           112           113           114           115 
      1   0.220210D+00  0.809635D+00 -0.356868D+00 -0.612212D+00  0.128237D+01
      2  -0.520234D+00 -0.356868D+00  0.259537D+01  0.107627D+01 -0.582464D+00
      3   0.118740D+00 -0.612212D+00  0.107627D+01  0.190103D+01 -0.431441D-01
               116           117           118           119           120 
      1  -0.582464D+00 -0.431441D-01 -0.187355D-01 -0.800178D+00 -0.726816D+00
      2   0.306553D+01  0.166513D+01 -0.800178D+00 -0.943997D+00 -0.503079D+00
      3   0.166513D+01  0.367946D+01 -0.726816D+00 -0.503079D+00 -0.114702D+01
               121           122           123           124           125 
      1  -0.678740D+00 -0.295330D+00 -0.114176D+00 -0.120150D+01  0.111290D+00
      2  -0.295330D+00 -0.230038D+01 -0.194200D+01  0.111290D+00 -0.338230D+01
      3  -0.114176D+00 -0.194200D+01 -0.240312D+01 -0.557697D+00 -0.341006D+01
               126           127           128           129           130 
      1  -0.557697D+00  0.906556D+01 -0.343076D+01  0.870771D+00 -0.159660D+01
      2  -0.341006D+01 -0.343076D+01  0.272088D+01 -0.131971D+00  0.154099D+01
      3  -0.633643D+01  0.870771D+00 -0.131971D+00  0.108327D+01 -0.101359D+00
               131           132           133           134           135 
      1   0.154099D+01 -0.101359D+00  0.121016D+01 -0.459056D+00  0.934206D+00
      2  -0.111763D+01  0.207590D+00 -0.459056D+00  0.577157D+00 -0.884047D+00
      3   0.207590D+00 -0.484193D+00  0.934206D+00 -0.884047D+00  0.160547D+00
               136           137           138           139           140 
      1  -0.361533D+01 -0.737205D+00  0.141711D+01 -0.755608D+00 -0.987173D+00
      2  -0.737205D+00 -0.215377D+01  0.738366D+00 -0.987173D+00 -0.277429D+01
      3   0.141711D+01  0.738366D+00 -0.172414D+01  0.477286D+00  0.137130D+01
               141           142           143           144           145 
      1   0.477286D+00  0.173787D+01  0.464620D+00 -0.119852D+01  0.540112D+00
      2   0.137130D+01  0.464620D+00  0.278369D+01 -0.209782D+01  0.799596D+00
      3  -0.169687D+01 -0.119852D+01 -0.209782D+01  0.258728D+01  0.381291D+00
               146           147           148           149           150 
      1   0.799596D+00  0.381291D+00  0.139879D+01  0.295131D+00  0.512251D+00
      2  -0.172841D+00 -0.302336D-01  0.295131D+00  0.855085D+01  0.156627D+01
      3  -0.302336D-01 -0.367884D+00  0.512251D+00  0.156627D+01  0.174295D+01
               151           152           153           154           155 
      1   0.113998D+00  0.535547D-01 -0.318657D+00 -0.206681D+01 -0.711762D+00
      2   0.535547D-01  0.590896D+00  0.709255D+00 -0.711762D+00 -0.110947D+01
      3  -0.318657D+00  0.709255D+00  0.296644D+00  0.130951D+01  0.407602D+00
               156           157           158           159           160 
      1   0.130951D+01 -0.112841D+01 -0.644459D+00  0.286830D+00  0.149108D+01
      2   0.407602D+00 -0.644459D+00 -0.499999D+00  0.104861D+01  0.385600D+00
      3  -0.276285D+01  0.286830D+00  0.104861D+01 -0.210555D+01 -0.135518D+01
               161           162           163           164           165 
      1   0.385600D+00 -0.135518D+01  0.900842D+01 -0.656165D+00  0.337357D+01
      2   0.110423D+01 -0.929914D+00 -0.656165D+00  0.127042D+01 -0.218757D-01
      3  -0.929914D+00  0.480811D+01  0.337357D+01 -0.218757D-01  0.230150D+01
               166           167           168           169           170 
      1  -0.151197D+01  0.102314D+01 -0.549385D+00  0.189302D+01 -0.122436D+00
      2   0.102314D+01  0.112873D+00  0.460332D+00 -0.122436D+00  0.219648D+00
      3  -0.549385D+00  0.460332D+00 -0.878881D+00  0.156687D+01 -0.397987D+00
               171 
      1   0.156687D+01
      2  -0.397987D+00
      3   0.141414D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.590419D+01  0.154058D+01 -0.115213D+01  0.286480D+00 -0.102382D+02
      2   0.264373D+00 -0.222517D+01  0.127459D+02 -0.239705D+01 -0.307193D+01
      3  -0.853001D+01 -0.292573D+01 -0.329936D+01  0.172094D+01  0.124051D+02
                 6             7             8             9            10 
      1  -0.677063D+01 -0.141331D+01 -0.812635D+00  0.351925D+01  0.132751D+01
      2   0.525116D+01  0.717681D+01  0.626136D+01 -0.185016D+01  0.107488D+02
      3   0.167936D+01 -0.222857D+01 -0.287596D+00 -0.419357D+01  0.492512D+01
                11            12            13            14            15 
      1  -0.104341D+00 -0.379040D+00 -0.141500D+01 -0.944464D+00 -0.342986D+01
      2  -0.340969D-02  0.113291D+00 -0.331742D+01  0.814973D+00 -0.410842D+01
      3  -0.674559D+00 -0.196779D+01  0.581494D+01 -0.739373D+01  0.748498D+00
                16            17            18            19            20 
      1  -0.604329D+00  0.302269D+01  0.126411D+01 -0.312360D+01 -0.270310D+01
      2  -0.367595D+01 -0.446469D+01 -0.340195D+01 -0.582258D+01  0.954143D+00
      3   0.270007D+01  0.543440D+00  0.508902D+01 -0.438701D+00 -0.161434D+01
                21            22            23            24            25 
      1  -0.682011D+00 -0.109924D+01  0.442678D+01 -0.257780D+01  0.323601D+00
      2   0.107680D+01  0.119139D+01 -0.875513D+00  0.208591D+01 -0.977903D+01
      3   0.167702D+01  0.270599D+01 -0.150436D+01  0.156196D+01 -0.179451D+01
                26            27            28            29            30 
      1   0.337403D+01 -0.485487D+01  0.110534D+01  0.512193D+01  0.239171D+01
      2  -0.154295D+00 -0.137552D+00 -0.997238D+01 -0.338465D+01  0.219394D+01
      3   0.660279D+00  0.744273D+00 -0.862489D+01 -0.406428D+01  0.615503D+00
                31            32            33            34            35 
      1   0.246020D+01 -0.600432D+01 -0.122445D+01  0.125532D+01  0.522427D+00
      2   0.209581D+01  0.223388D+01 -0.124649D+01 -0.476720D+01 -0.176544D+01
      3   0.199020D+01  0.508057D+01 -0.508628D+01 -0.559252D+01 -0.114056D+02
                36            37            38            39            40 
      1   0.425030D+01 -0.348702D+01 -0.782733D+00  0.203397D-01 -0.534707D+00
      2   0.117888D+02  0.472204D+01  0.366301D+01 -0.207091D+00 -0.772620D+00
      3  -0.210039D+00 -0.398141D+01  0.101306D+01  0.758234D+00  0.599699D+01
                41            42            43            44            45 
      1   0.152701D+00 -0.481273D+01  0.337879D+01  0.399977D+01 -0.504181D+01
      2   0.307472D+01  0.858111D+00 -0.451301D+01  0.732064D+00  0.511592D+01
      3  -0.679432D+01 -0.187622D+01  0.212090D+01 -0.113912D+01 -0.295786D+01
                46            47            48            49            50 
      1  -0.532995D+01 -0.757623D+00  0.528516D+01 -0.107024D+01  0.109302D+01
      2  -0.638293D+01  0.716970D+00  0.564685D+01  0.189356D+00  0.114126D+00
      3   0.409117D+01 -0.127997D+02  0.381531D+01 -0.586510D+01  0.268761D+01
                51            52            53            54            55 
      1   0.578861D+01  0.324730D+01  0.118300D+02  0.475866D+01 -0.360578D+01
      2   0.609743D+01  0.127646D+01  0.766854D+01  0.581061D+01  0.530190D+01
      3   0.987069D+00  0.414362D+01  0.227965D+00 -0.124445D+02  0.921498D+01
                56            57            58            59            60 
      1   0.274754D+00 -0.499570D+01 -0.367522D-01 -0.227303D+01  0.322892D+00
      2  -0.138880D+01  0.501490D+01  0.226441D+00  0.188649D+01 -0.317580D+00
      3  -0.102100D+02  0.639175D+01  0.204374D+01  0.313369D+01 -0.988008D+00
                61            62            63            64            65 
      1  -0.481600D+01  0.972479D+01  0.964152D+01  0.447871D+00 -0.403007D+01
      2   0.130923D+00  0.832364D+00  0.196244D+01  0.294740D-01  0.210481D+01
      3   0.378477D+01 -0.146847D+01  0.417848D+01  0.338541D+01 -0.546479D+01
                66            67            68            69            70 
      1   0.324781D+00 -0.809581D+00  0.355247D+01 -0.162239D+01 -0.336343D+00
      2   0.504245D+01  0.303744D+00 -0.440334D+01 -0.226200D+01 -0.227387D+01
      3  -0.128465D+01  0.182844D+01  0.498564D+01  0.430325D+01  0.481676D+01
                71            72            73            74            75 
      1   0.719473D+01 -0.113140D+00  0.120809D+01  0.535822D+00  0.382821D+00
      2  -0.286025D+01 -0.140509D+02 -0.452694D-01 -0.565047D+00 -0.599554D-01
      3   0.866292D+01  0.252357D+01  0.314357D-01 -0.123778D+01 -0.808775D+00
                76            77            78            79            80 
      1   0.283782D+00  0.217389D+01  0.107068D+01 -0.970250D-01  0.497464D+01
      2  -0.163003D+01 -0.138360D+00 -0.136906D+00 -0.308030D+01  0.376821D+00
      3   0.138094D+01 -0.400009D+00 -0.719434D+00  0.504358D+00 -0.515592D+00
                81            82            83            84            85 
      1   0.292517D+01 -0.596321D+00 -0.165399D+01 -0.320950D+00 -0.386935D+00
      2  -0.619228D-01 -0.112565D+01 -0.104461D+00  0.396330D+01  0.162177D+01
      3  -0.103312D+01 -0.139848D+01 -0.402134D+01  0.676556D+00  0.516366D+00
                86            87            88            89            90 
      1  -0.914469D+00 -0.885530D+00 -0.107246D+00  0.250639D+01 -0.113363D+00
      2  -0.956136D+00  0.285055D+01 -0.124658D+01  0.224939D+01 -0.433039D+01
      3  -0.229311D+01  0.170913D+01 -0.118679D+01  0.313228D+01 -0.179630D+01
                91            92            93            94            95 
      1   0.321691D+01  0.193743D+01 -0.305844D+01  0.237171D+01  0.240105D+01
      2  -0.284018D+01 -0.285146D+01  0.353505D+01 -0.179488D+01 -0.254947D+01
      3   0.172390D+01 -0.249036D+01 -0.687890D+00  0.104465D+01 -0.243696D+01
                96            97            98            99           100 
      1  -0.213652D+01 -0.296444D+01 -0.153659D+01  0.322756D+01  0.306470D+01
      2   0.251153D+01  0.285867D+01  0.304692D+01 -0.443969D+01 -0.541120D+01
      3   0.334630D+00 -0.991037D+00  0.274537D+01 -0.360889D+00 -0.105556D+02
               101           102           103           104           105 
      1   0.670420D-01  0.397839D+01 -0.260629D+00 -0.369687D+00 -0.139776D+01
      2   0.227784D+01 -0.454015D+00  0.191835D+01 -0.132691D+01  0.171299D+00
      3   0.404527D+01 -0.589566D+01  0.529614D+01 -0.217496D+01  0.149838D+01
               106           107           108           109           110 
      1   0.299439D+01 -0.101595D+00  0.281388D+01 -0.138545D+01  0.130704D+01
      2  -0.403099D+01  0.947108D+00 -0.917404D+00 -0.826787D-01  0.476866D+00
      3  -0.808369D+01  0.201241D+01 -0.407870D+01  0.381996D+00 -0.200000D+00
               111           112           113           114           115 
      1   0.574860D+00  0.177084D+01 -0.514142D+01 -0.611568D+01  0.988962D+00
      2  -0.392705D-01  0.499671D+00 -0.972251D+00 -0.119740D+01 -0.137968D+01
      3   0.109324D+01  0.185944D+01 -0.430695D+00 -0.760833D+00  0.431523D+01
               116           117           118           119           120 
      1  -0.544780D+01 -0.129140D+02 -0.662352D+00  0.296239D+00 -0.238924D+01
      2  -0.122027D+01 -0.143335D+01 -0.165391D+01 -0.101984D+01 -0.147907D+01
      3  -0.571870D-01  0.112380D+00  0.230960D+01  0.215910D+01  0.191844D+01
               121           122           123           124           125 
      1  -0.521743D-01 -0.164806D+01 -0.509428D+01 -0.164036D+01 -0.142031D+01
      2  -0.119740D+01 -0.328917D+01 -0.387055D+01 -0.419725D+01 -0.491210D+01
      3   0.338979D+01  0.421232D+01  0.374127D+01  0.317421D+01  0.530598D+01
               126           127           128           129           130 
      1  -0.106212D+02  0.300486D+01 -0.885951D+00  0.287327D+01 -0.958224D+00
      2  -0.100652D+02  0.460471D+01 -0.123353D+01  0.499981D+01 -0.605420D+00
      3   0.731594D+01 -0.107481D+02 -0.239553D+01 -0.156505D+01  0.204288D+01
               131           132           133           134           135 
      1   0.804709D+00 -0.195038D+01  0.147066D+01 -0.660704D+00  0.846602D+00
      2   0.116078D+01 -0.143583D+01  0.112334D+01 -0.162069D+01  0.101100D+01
      3  -0.392524D+00 -0.315105D+00 -0.170718D+01 -0.833845D+00  0.486719D+00
               136           137           138           139           140 
      1   0.364371D+01  0.118733D+01 -0.440462D+01  0.144556D+01  0.313899D+01
      2   0.290952D+01  0.944787D+00 -0.162397D+01  0.124707D+01  0.205930D+01
      3   0.119653D+02  0.389680D+01 -0.454250D+01  0.517509D+01  0.633593D+01
               141           142           143           144           145 
      1  -0.526352D+01 -0.279260D+01 -0.255550D+01  0.619838D+01  0.787659D+00
      2  -0.221223D+01 -0.372050D+01 -0.315904D+01  0.340204D+01  0.105779D+01
      3  -0.389546D+01 -0.564056D+01 -0.511995D+01  0.631706D+01 -0.129495D+01
               146           147           148           149           150 
      1  -0.984220D+00  0.795445D+00 -0.118845D+01  0.114523D+02 -0.277301D+01
      2  -0.954330D+00 -0.521712D+00 -0.170786D+01  0.342467D+01  0.264340D+01
      3   0.665760D+00 -0.107104D-01  0.420910D+01 -0.156907D+02 -0.152315D+01
               151           152           153           154           155 
      1   0.846697D+00  0.989891D+00  0.712596D+00 -0.221371D+01 -0.302188D+01
      2  -0.180379D+01  0.120498D+01  0.580494D+00  0.890626D+01  0.224165D+01
      3  -0.127405D+00 -0.597792D+00 -0.191150D+01  0.308975D+00  0.376767D+00
               156           157           158           159           160 
      1   0.199278D+01 -0.122929D+01 -0.192608D+01  0.153336D+01  0.196455D+01
      2  -0.587293D+01  0.306073D+01  0.291590D+01 -0.392877D+01 -0.742129D+01
      3   0.425334D+00  0.151001D+01  0.105019D+00 -0.138457D+01  0.219734D+00
               161           162           163           164           165 
      1   0.445177D+01 -0.445112D+01 -0.330665D+01  0.265576D+01 -0.123742D+01
      2  -0.279374D+01  0.104400D+02 -0.595400D+01  0.116235D+01  0.317403D+01
      3  -0.857125D+00  0.385984D+00  0.686241D+01 -0.576780D+01  0.188032D+01
               166           167           168           169           170 
      1   0.116856D+01 -0.547932D+00  0.906813D-01 -0.132682D+01  0.165352D+01
      2   0.106834D+01 -0.101759D+00 -0.175320D+01 -0.151417D+01 -0.738984D+00
      3  -0.182314D+01  0.935456D+00 -0.760142D+00  0.157262D+01 -0.100841D+01
               171 
      1  -0.123786D+01
      2   0.132291D+01
      3   0.183308D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.272245D+02  0.954220D+01 -0.233675D+02  0.116389D+02  0.111819D+02
      2   0.231355D+02 -0.340083D+01  0.487599D+01 -0.587294D+01 -0.168142D+02
      3   0.408903D+01 -0.614137D+01  0.184915D+02 -0.576595D+01  0.563239D+01
      4   0.391058D+01  0.558144D+01 -0.136759D+01  0.490236D+01 -0.200335D+02
      5  -0.241822D+02  0.498941D+01 -0.333303D+01  0.678513D+01 -0.859138D+00
      6   0.228602D+01  0.287640D+01 -0.162015D+00  0.171995D+01 -0.106616D+02
                 6             7             8             9            10 
      1  -0.211226D+01 -0.179496D+02 -0.312081D+01  0.610061D+01  0.787712D+01
      2  -0.841481D+01  0.358631D+01 -0.635345D+01 -0.159707D+01 -0.297248D+01
      3   0.105271D+02  0.143633D+02  0.947426D+01 -0.450354D+01 -0.490464D+01
      4  -0.203862D+01 -0.503718D+00  0.661054D+00  0.116584D+02 -0.117630D+02
      5   0.740847D+01 -0.278486D+00  0.887603D+01  0.812661D+01  0.159722D+02
      6   0.118721D+01  0.167332D+01  0.917167D+00  0.833713D+01  0.552787D+01
                11            12            13            14            15 
      1  -0.120361D+02  0.130194D+02 -0.929593D+01 -0.209431D+01  0.297467D+01
      2   0.114145D+02 -0.749936D+01  0.104527D+02 -0.460961D+01 -0.111208D+01
      3   0.621610D+00 -0.552008D+01 -0.115680D+01  0.670393D+01 -0.186259D+01
      4  -0.249980D+01  0.217757D+01 -0.582499D+01  0.117839D+02  0.445444D+01
      5   0.261515D+01 -0.101303D+02  0.956778D-01  0.714426D+01 -0.123983D+02
      6  -0.878421D+00 -0.780405D+00  0.152625D+01 -0.257501D+01 -0.200999D+01
                16            17            18            19            20 
      1   0.105377D+02  0.127022D+01 -0.115193D+02 -0.108813D+02 -0.643109D+01
      2  -0.673939D+01 -0.226815D+01  0.901812D+01  0.829897D+01  0.784121D+01
      3  -0.379833D+01  0.997933D+00  0.250116D+01  0.258233D+01 -0.141012D+01
      4  -0.973217D+00 -0.252307D+00 -0.129083D+02  0.115943D+01 -0.198084D+01
      5  -0.119202D+02 -0.133021D+02  0.506488D+00 -0.593336D+01 -0.582333D+00
      6  -0.295630D+01  0.973446D-01  0.764612D+00 -0.733578D+01 -0.508565D+01
                21            22            23            24            25 
      1   0.376297D+01  0.293648D+01  0.951975D+01  0.225225D+01  0.340162D+00
      2   0.120366D+01 -0.750844D+00 -0.114336D+02  0.639278D+01  0.131652D+01
      3  -0.496663D+01 -0.218563D+01  0.191383D+01 -0.864503D+01 -0.165668D+01
      4  -0.209330D+00 -0.796362D+01 -0.192003D+01  0.165191D+01  0.458171D+01
      5   0.591242D+00  0.461963D+01 -0.105107D+01  0.602958D+00  0.229765D+01
      6   0.248523D+01  0.189997D+01  0.911389D+01 -0.715115D+01  0.277668D-01
                26            27            28            29            30 
      1   0.705558D+01  0.708753D+01 -0.663392D+00  0.264193D+01 -0.134360D+01
      2   0.340561D+01  0.104393D+02  0.129866D+01 -0.413735D+01 -0.684950D+01
      3  -0.104612D+02 -0.175269D+02 -0.635270D+00  0.149542D+01  0.819310D+01
      4   0.113866D+01 -0.144913D+01  0.369059D+01 -0.258168D+01 -0.750583D+01
      5  -0.134915D+01 -0.496110D+01  0.616629D+01 -0.686209D+01 -0.404554D+01
      6   0.194233D+01 -0.567297D+01 -0.307397D+01 -0.663602D+00  0.106818D+01
                31            32            33            34            35 
      1   0.568663D+01  0.446905D+01 -0.654953D+01  0.965887D+01 -0.459882D+01
      2  -0.637142D+01 -0.957583D+01  0.977336D+01 -0.929051D+01 -0.128755D+01
      3   0.684782D+00  0.510678D+01 -0.322383D+01 -0.368360D+00  0.588637D+01
      4  -0.521864D+01 -0.217656D+01 -0.419184D+01 -0.116543D+02  0.486212D+01
      5  -0.174939D+02 -0.373967D+01  0.445197D+01 -0.109161D+02  0.426996D+01
      6  -0.432781D+01 -0.739436D+01 -0.120281D+01 -0.360728D+00 -0.296815D+01
                36            37            38            39            40 
      1  -0.667209D+00 -0.200246D+01 -0.439664D+00  0.823214D+01 -0.259282D+01
      2   0.871312D+01  0.177192D+00 -0.143992D+01 -0.206909D+01  0.184851D+01
      3  -0.804591D+01  0.182527D+01  0.187959D+01 -0.616306D+01  0.744313D+00
      4   0.582213D+01 -0.107455D+02 -0.120965D+01  0.118242D+02  0.617770D+01
      5   0.189448D+02  0.118363D+02  0.783156D+01  0.201218D+01  0.106255D+02
      6  -0.334678D+01  0.850680D+01  0.695223D+01 -0.158323D+01  0.665439D+01
                41            42            43            44            45 
      1  -0.149451D+02  0.333212D+01  0.120333D+02  0.572505D+01 -0.476771D+01
      2   0.248696D+02  0.510041D+00 -0.205291D+01  0.340179D+01 -0.460802D+00
      3  -0.992451D+01 -0.384216D+01 -0.998034D+01 -0.912684D+01  0.522852D+01
      4   0.112510D+02  0.974448D+01  0.189544D+02  0.163235D+02 -0.965262D+00
      5   0.104603D+02  0.275757D+01  0.260302D+01  0.265904D+01  0.109442D+02
      6   0.894614D+01  0.643614D+01 -0.152587D+01  0.659360D+01  0.869857D+01
                46            47            48            49            50 
      1  -0.267800D+02  0.211568D+02 -0.863080D+01  0.141148D+02  0.822829D+00
      2   0.692199D+01 -0.150688D+02  0.745119D+01 -0.121295D+02  0.109103D+02
      3   0.198580D+02 -0.608794D+01  0.117961D+01 -0.198534D+01 -0.117332D+02
      4   0.240736D+02 -0.563046D+01  0.673115D+01 -0.179555D+01 -0.144449D+02
      5  -0.554346D+01  0.647413D+00  0.851975D+01  0.224717D+00 -0.387900D+01
      6   0.565402D+01  0.166270D+01 -0.110059D+02  0.132921D+00  0.312715D+01
                51            52            53            54            55 
      1   0.120794D+01 -0.988102D+01  0.256352D+01  0.211673D+02  0.851933D+01
      2   0.477335D+01  0.723404D+01  0.463185D+01 -0.142280D+02 -0.389621D+01
      3  -0.598129D+01  0.264698D+01 -0.719537D+01 -0.693926D+01 -0.462312D+01
      4  -0.979113D+00  0.698530D+01  0.133521D+01  0.410246D+01  0.147594D+02
      5   0.100468D+02  0.773151D+01  0.112655D+02  0.856272D+01 -0.975007D+01
      6  -0.141070D+02 -0.781600D+01 -0.164238D+02 -0.115302D+02  0.120815D+02
                56            57            58            59            60 
      1   0.237650D+01 -0.357358D+01 -0.139457D+01 -0.190506D+02  0.579955D+01
      2   0.562243D+00  0.484793D+01  0.399072D+01  0.298574D+02 -0.104382D+02
      3  -0.293874D+01 -0.127435D+01 -0.259615D+01 -0.108068D+02  0.463864D+01
      4  -0.507998D+01  0.897520D+01  0.243225D+01  0.534371D+01 -0.137112D+01
      5   0.556709D+01 -0.407028D+01  0.175342D+01 -0.160178D+01  0.955611D+00
      6  -0.237941D+01  0.669039D+01 -0.368055D+01 -0.160671D+02  0.330344D+01
                61            62            63            64            65 
      1  -0.406176D+00  0.797413D+01 -0.603269D+01  0.224561D+02 -0.345335D+01
      2   0.433744D+01 -0.109548D+02 -0.910869D+01 -0.163675D+02  0.186964D+01
      3  -0.393126D+01  0.298072D+01  0.151414D+02 -0.608857D+01  0.158372D+01
      4   0.717535D+01  0.123384D+01  0.846961D+01 -0.871832D+01  0.125312D+02
      5  -0.176670D+01  0.355340D+01 -0.361934D+01 -0.169822D+02  0.631819D+01
      6   0.840749D+01  0.388119D+00 -0.143565D+02  0.329666D+01 -0.210255D+01
                66            67            68            69            70 
      1  -0.897342D+01 -0.784249D+01 -0.208126D+01  0.155430D+01 -0.111573D+02
      2   0.109395D+02  0.518247D+01  0.349679D+01 -0.568684D+01  0.109539D+02
      3  -0.196612D+01  0.266003D+01 -0.141553D+01  0.413253D+01  0.203383D+00
      4   0.548679D+01  0.114992D+02 -0.120395D+02 -0.743917D+01  0.640166D+01
      5   0.164720D+02  0.918189D+01 -0.726593D+01 -0.791563D+01  0.217078D+02
      6  -0.328885D+01 -0.349536D+01  0.438373D+01  0.987290D+01 -0.189652D+01
                71            72            73            74            75 
      1  -0.200985D+01 -0.345550D+01  0.710067D+00  0.610679D+00 -0.250872D+00
      2  -0.116175D+01 -0.222623D+02 -0.444455D+01 -0.100538D+01 -0.203340D+01
      3   0.317160D+01  0.257178D+02  0.373448D+01  0.394700D+00  0.228427D+01
      4  -0.120508D+02 -0.932771D+01  0.165598D+00  0.200406D+01  0.417426D+00
      5  -0.711299D+01 -0.303281D+02  0.235791D+01  0.136001D+01  0.670951D+01
      6   0.873988D+01  0.714221D+01  0.142225D+01  0.234626D+00  0.310167D+00
                76            77            78            79            80 
      1   0.309008D+00 -0.439194D+01 -0.466836D+01 -0.108831D+01 -0.275392D+01
      2  -0.850978D+00 -0.682330D+00 -0.362752D+01 -0.165276D+01 -0.451867D+01
      3   0.541970D+00  0.507427D+01  0.829588D+01  0.274107D+01  0.727259D+01
      4   0.215937D+01  0.341679D+00  0.423110D+00  0.137465D+00  0.850214D+00
      5   0.442360D+00  0.709200D+00  0.183549D+01  0.530701D+01  0.114132D+01
      6   0.421243D+00  0.354861D+01  0.714892D+01 -0.606013D-01  0.617991D+01
                81            82            83            84            85 
      1  -0.173553D+02  0.168390D+02  0.618062D+01 -0.963147D+01  0.602710D+01
      2  -0.167565D+02 -0.113802D+02 -0.446530D+01  0.747924D+01 -0.354477D+01
      3   0.341119D+02 -0.545875D+01 -0.171532D+01  0.215223D+01 -0.248233D+01
      4   0.322860D+00  0.925731D+01  0.865897D+01 -0.466485D+01  0.932622D+01
      5   0.577617D+01 -0.157166D+02 -0.505080D+01  0.149105D+02 -0.552111D+01
      6   0.370381D+01 -0.364752D+01 -0.255820D+01  0.309299D+01 -0.375929D+01
                86            87            88            89            90 
      1   0.263147D+01 -0.218162D+01 -0.818759D+01 -0.155822D+01  0.452459D+01
      2   0.414326D-01  0.131137D+01  0.847877D+01  0.327471D+01 -0.113596D+02
      3  -0.267290D+01  0.870248D+00 -0.291175D+00 -0.171649D+01  0.683505D+01
      4   0.710034D+01 -0.646610D+01 -0.421962D+01 -0.601481D+01  0.713836D+01
      5  -0.677139D+01  0.808985D+01  0.157206D+02  0.756398D+01 -0.187469D+02
      6  -0.454200D+01  0.619694D+01  0.345341D+01  0.538478D+01 -0.601861D+01
                91            92            93            94            95 
      1   0.201627D+02  0.108283D+02 -0.632333D+01  0.405309D+01  0.237981D+01
      2  -0.547595D+01 -0.360110D+00  0.186408D+01  0.271729D+01  0.637550D+01
      3  -0.146868D+02 -0.104682D+02  0.445925D+01 -0.677039D+01 -0.875531D+01
      4   0.224333D+02  0.188431D+02 -0.710645D+01  0.136089D+02  0.157883D+02
      5  -0.769221D+01 -0.498028D+01  0.653995D+01 -0.277703D+01 -0.323350D+01
      6  -0.524484D+01 -0.347071D+01  0.368314D+01 -0.278768D+01 -0.385831D+01
                96            97            98            99           100 
      1  -0.545368D+00 -0.958953D+01 -0.482728D+01  0.355253D+01  0.321695D+01
      2  -0.166751D+01  0.257476D+01 -0.152360D+01 -0.919480D+00 -0.133981D+00
      3   0.221288D+01  0.701476D+01  0.635088D+01 -0.263305D+01 -0.308297D+01
      4  -0.485777D+01 -0.150855D+02 -0.140933D+02  0.940615D+01 -0.202011D+02
      5   0.323214D+01  0.954913D+01  0.732183D+01 -0.766777D+01  0.144493D+02
      6   0.373928D+01  0.702891D+01  0.727967D+01 -0.679030D+01 -0.142522D+02
               101           102           103           104           105 
      1   0.182535D+01 -0.141670D+00  0.787308D+00 -0.322945D+01  0.157650D+01
      2  -0.517390D+01 -0.135895D+01 -0.389843D+01  0.702790D+01 -0.247538D+01
      3   0.334855D+01  0.150062D+01  0.311112D+01 -0.379845D+01  0.898882D+00
      4   0.159391D+02 -0.119357D+02  0.121985D+02 -0.785355D+01  0.415740D+01
      5  -0.878901D+01  0.113853D+02 -0.498813D+01  0.445203D+01 -0.236332D+01
      6   0.985698D+01 -0.107695D+02  0.604779D+01 -0.677312D+01  0.599290D+01
               106           107           108           109           110 
      1  -0.337124D+00  0.283402D+01 -0.275391D+01 -0.738891D+00 -0.319454D+00
      2  -0.200752D+01 -0.216967D+01 -0.181733D+01  0.143295D+01 -0.252937D+01
      3   0.234464D+01 -0.664352D+00  0.457124D+01 -0.694062D+00  0.284882D+01
      4  -0.130572D+02  0.566883D+01 -0.804997D+01 -0.773344D+00  0.413779D+01
      5   0.114973D+02 -0.506017D+01  0.833238D+01 -0.127477D+00 -0.977161D+00
      6  -0.967654D+01  0.882851D+01 -0.992024D+01  0.899249D-01 -0.235779D+01
               111           112           113           114           115 
      1   0.198768D+01 -0.771154D+00 -0.626925D+01 -0.147368D+01  0.297471D+00
      2  -0.235089D+01 -0.185417D+01  0.125970D+02  0.741559D+01 -0.247334D+01
      3   0.363210D+00  0.262532D+01 -0.632776D+01 -0.594192D+01  0.217587D+01
      4   0.320059D+00  0.480399D+01 -0.369927D+01 -0.313739D+01  0.396108D+01
      5   0.238882D+01 -0.820289D+00 -0.128924D+01 -0.109360D+01  0.744774D+00
      6   0.625082D+00 -0.250761D+01  0.455259D+01  0.975593D+01 -0.366165D+00
               116           117           118           119           120 
      1  -0.674743D+01 -0.299913D+01  0.174265D+00 -0.580847D+01 -0.392199D+01
      2   0.139431D+02  0.928204D+01  0.152109D-03  0.476136D+01  0.116587D+01
      3  -0.719568D+01 -0.628291D+01 -0.174417D+00  0.104711D+01  0.275611D+01
      4  -0.504798D+01 -0.158125D+01 -0.147431D+01  0.177940D+01  0.165964D+01
      5  -0.891748D+00 -0.215408D+01 -0.487185D+00  0.206419D+00  0.678550D+00
      6   0.775298D+01  0.152677D+02  0.284688D+01  0.280553D+01  0.516531D+01
               121           122           123           124           125 
      1  -0.321541D+01 -0.103473D+02 -0.804993D+01 -0.410669D+01 -0.109649D+02
      2   0.240101D+01  0.106698D+02  0.663321D+01  0.115331D+01  0.904055D+01
      3   0.814395D+00 -0.322551D+00  0.141672D+01  0.295338D+01  0.192434D+01
      4   0.355169D+01 -0.433353D+01 -0.392084D+01  0.513605D+01 -0.803751D+01
      5   0.922165D+00 -0.487999D+01 -0.683769D+01  0.313634D+01 -0.968870D+01
      6   0.109630D+01  0.115071D+02  0.152605D+02  0.189928D+01  0.184256D+02
               126           127           128           129           130 
      1  -0.186469D+02  0.485826D+02 -0.124534D+02  0.420230D+01 -0.585760D+01
      2   0.196965D+01 -0.181650D+02 -0.124040D+01 -0.188398D+01 -0.203769D+01
      3   0.166773D+02 -0.304176D+02  0.136938D+02 -0.231833D+01  0.789528D+01
      4  -0.587947D+01 -0.386797D+02  0.227111D+02 -0.287009D+01  0.152478D+02
      5  -0.173997D+02  0.565021D+00  0.479159D+00  0.798866D+01  0.175121D+00
      6   0.266622D+02 -0.183259D+01 -0.297711D+00 -0.439111D+01  0.921391D-01
               131           132           133           134           135 
      1   0.502930D+01 -0.441414D-01  0.619790D+01 -0.158263D+01  0.257590D+01
      2   0.232063D+01 -0.106987D+01 -0.250312D+01 -0.126261D+01 -0.122013D+01
      3  -0.734992D+01  0.111401D+01 -0.369478D+01  0.284524D+01 -0.135577D+01
      4  -0.985239D+01  0.148543D+01 -0.561054D+01  0.371584D+01 -0.457018D+01
      5   0.671277D+00 -0.194582D+01  0.712073D+01 -0.367185D+01  0.160140D+01
      6  -0.558094D+00  0.343650D+01 -0.307250D+01  0.431285D+01 -0.436063D+00
               136           137           138           139           140 
      1  -0.131809D+01 -0.933173D+01  0.511849D+01 -0.681794D+01 -0.115682D+02
      2   0.287860D+01  0.111236D+02 -0.431452D+01  0.710671D+01  0.164294D+02
      3  -0.156051D+01 -0.179183D+01 -0.803968D+00 -0.288764D+00 -0.486119D+01
      4   0.967945D+01 -0.158269D+00 -0.373882D+01  0.313624D+01 -0.143285D+01
      5   0.135850D+01  0.862795D+00 -0.259661D+01  0.112078D+01  0.272910D+01
      6  -0.518236D+01 -0.410730D+01  0.749089D+01 -0.305848D+01 -0.775568D+01
               141           142           143           144           145 
      1   0.593458D+01  0.612143D+01  0.877549D+01 -0.115309D+02  0.198705D+01
      2  -0.843737D+01 -0.421996D+01 -0.123126D+02  0.753703D+01 -0.707469D-01
      3   0.250278D+01 -0.190147D+01  0.353707D+01  0.399383D+01 -0.191630D+01
      4   0.114865D+00 -0.573806D+01  0.355720D+01  0.637214D-01  0.240809D+01
      5  -0.427896D+01 -0.106057D+01 -0.468712D+01  0.499283D+01  0.251247D+01
      6   0.988713D+01  0.503908D+01  0.112732D+02 -0.113164D+02  0.665789D+00
               146           147           148           149           150 
      1   0.271954D+01  0.290723D+01  0.389615D+01 -0.157160D+02 -0.353157D+01
      2  -0.155074D+01 -0.745048D+00 -0.164589D+01  0.282664D+02  0.132083D+01
      3  -0.116879D+01 -0.216218D+01 -0.225026D+01 -0.125504D+02  0.221074D+01
      4   0.429954D+01  0.234068D+00  0.749530D+01  0.282487D+02  0.626471D+01
      5   0.108611D+01  0.135028D+01  0.402186D+01  0.460398D+01  0.550860D+01
      6  -0.659499D+00 -0.405172D+00  0.172686D+01  0.196912D+02  0.963477D+01
               151           152           153           154           155 
      1   0.722545D+00 -0.295261D+01 -0.421169D+01 -0.339463D+01 -0.269327D+01
      2   0.360191D-01  0.151257D+01  0.215297D+01 -0.270748D+01 -0.477015D+00
      3  -0.758564D+00  0.144004D+01  0.205872D+01  0.610211D+01  0.317028D+01
      4   0.519482D-01  0.157849D+01  0.153061D+01 -0.213549D+01 -0.212545D+01
      5   0.138390D+01  0.206465D+01  0.466580D+00 -0.306929D+01 -0.141741D+01
      6  -0.524063D+00  0.758086D+01  0.225747D+01 -0.147561D+01 -0.387091D+01
               156           157           158           159           160 
      1   0.109907D+02 -0.400335D+01 -0.544657D+01  0.509682D+01  0.930521D+01
      2   0.352593D+01  0.922849D+00  0.202020D+01  0.377481D+01  0.999680D+00
      3  -0.145166D+02  0.308050D+01  0.342637D+01 -0.887163D+01 -0.103049D+02
      4   0.127448D+01 -0.905795D+00 -0.524451D+00  0.210420D+01  0.226011D+01
      5  -0.630560D+00 -0.264888D+01  0.256006D+00 -0.363039D+01  0.385990D+01
      6   0.629010D+00 -0.228220D+01 -0.266636D+01  0.482044D+01  0.897032D+00
               161           162           163           164           165 
      1   0.359121D+01 -0.163366D+02  0.513679D+02 -0.392031D+01  0.139478D+02
      2   0.257587D+01 -0.104524D+02 -0.329748D+02  0.277906D+01 -0.132540D+02
      3  -0.616707D+01  0.267890D+02 -0.183931D+02  0.114124D+01 -0.693825D+00
      4   0.320450D+01 -0.328895D+01  0.369971D+01  0.819056D+01  0.192001D+01
      5  -0.501761D+00  0.491982D+01  0.327739D+02 -0.168234D+01  0.197542D+02
      6   0.515650D+01 -0.172354D+01 -0.332863D+00  0.404330D+01  0.114581D+01
               166           167           168           169           170 
      1  -0.815579D+01  0.349915D+01 -0.165353D+01  0.848351D+01  0.246021D+00
      2   0.532942D+01 -0.553341D+00  0.318674D+01 -0.873653D+01  0.945527D+00
      3   0.282636D+01 -0.294581D+01 -0.153320D+01  0.253022D+00 -0.119155D+01
      4   0.683628D+01 -0.800744D+00  0.250934D+01  0.119705D+01  0.136729D+01
      5  -0.571898D+01  0.354457D+01 -0.442574D+01  0.149496D+02 -0.170389D+01
      6   0.308907D+01 -0.396940D+00  0.229257D+01  0.575319D+00  0.194875D+01
               171 
      1   0.560533D+01
      2  -0.859297D+01
      3   0.298764D+01
      4  -0.494087D+00
      5   0.102109D+02
      6  -0.100333D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:25:02 2021, MaxMem=  5368709120 cpu:           16418.7 elap:            2053.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32933 -19.27097 -14.43934 -10.43604 -10.34254
 Alpha  occ. eigenvalues --  -10.30811 -10.28658 -10.28326  -1.22565  -1.13392
 Alpha  occ. eigenvalues --   -1.00485  -0.90186  -0.81136  -0.78536  -0.72176
 Alpha  occ. eigenvalues --   -0.65645  -0.61777  -0.59022  -0.57572  -0.56662
 Alpha  occ. eigenvalues --   -0.53137  -0.52509  -0.50521  -0.49030  -0.47547
 Alpha  occ. eigenvalues --   -0.46465  -0.42689  -0.42118  -0.41881  -0.41207
 Alpha  occ. eigenvalues --   -0.37496  -0.33869
 Alpha virt. eigenvalues --    0.03366   0.04409   0.04532   0.04981   0.06211
 Alpha virt. eigenvalues --    0.06814   0.07053   0.07255   0.07968   0.08270
 Alpha virt. eigenvalues --    0.09408   0.10511   0.11304   0.12332   0.13301
 Alpha virt. eigenvalues --    0.13673   0.14104   0.14543   0.14742   0.15183
 Alpha virt. eigenvalues --    0.15834   0.16547   0.17341   0.17496   0.18467
 Alpha virt. eigenvalues --    0.19113   0.19517   0.20096   0.20143   0.20560
 Alpha virt. eigenvalues --    0.21165   0.21866   0.22588   0.23970   0.24769
 Alpha virt. eigenvalues --    0.25481   0.25926   0.26363   0.27372   0.28480
 Alpha virt. eigenvalues --    0.28624   0.29706   0.30382   0.31102   0.31388
 Alpha virt. eigenvalues --    0.31892   0.32341   0.32475   0.33370   0.33991
 Alpha virt. eigenvalues --    0.34623   0.35150   0.36964   0.37460   0.38733
 Alpha virt. eigenvalues --    0.39548   0.40844   0.41323   0.41402   0.42143
 Alpha virt. eigenvalues --    0.43061   0.44111   0.44285   0.44896   0.45458
 Alpha virt. eigenvalues --    0.45565   0.46775   0.47314   0.47679   0.49046
 Alpha virt. eigenvalues --    0.49708   0.50938   0.51474   0.52199   0.53175
 Alpha virt. eigenvalues --    0.54157   0.54463   0.55285   0.55604   0.56950
 Alpha virt. eigenvalues --    0.57512   0.58714   0.58858   0.59485   0.60192
 Alpha virt. eigenvalues --    0.60819   0.61605   0.63055   0.63933   0.64247
 Alpha virt. eigenvalues --    0.65833   0.67012   0.67530   0.68224   0.69628
 Alpha virt. eigenvalues --    0.69900   0.70194   0.71120   0.72490   0.73473
 Alpha virt. eigenvalues --    0.74156   0.75082   0.75851   0.76100   0.77276
 Alpha virt. eigenvalues --    0.78033   0.78752   0.80073   0.80570   0.81896
 Alpha virt. eigenvalues --    0.83897   0.84523   0.85495   0.86070   0.87177
 Alpha virt. eigenvalues --    0.88740   0.89744   0.89933   0.91253   0.92985
 Alpha virt. eigenvalues --    0.94682   0.95443   0.96739   0.97464   1.00755
 Alpha virt. eigenvalues --    1.01026   1.02779   1.03468   1.04056   1.05348
 Alpha virt. eigenvalues --    1.06570   1.08953   1.09535   1.11238   1.14418
 Alpha virt. eigenvalues --    1.15346   1.16659   1.18174   1.19389   1.19988
 Alpha virt. eigenvalues --    1.22783   1.24394   1.24628   1.27168   1.28251
 Alpha virt. eigenvalues --    1.30621   1.32004   1.33694   1.35056   1.36003
 Alpha virt. eigenvalues --    1.37884   1.42493   1.45103   1.46986   1.48140
 Alpha virt. eigenvalues --    1.49878   1.52430   1.54148   1.56916   1.59566
 Alpha virt. eigenvalues --    1.60957   1.64062   1.65906   1.66511   1.68365
 Alpha virt. eigenvalues --    1.68978   1.70798   1.74287   1.76195   1.76617
 Alpha virt. eigenvalues --    1.79007   1.80807   1.81081   1.83922   1.85330
 Alpha virt. eigenvalues --    1.86560   1.88395   1.90024   1.91642   1.93155
 Alpha virt. eigenvalues --    1.93772   1.96494   1.97855   1.98285   1.99188
 Alpha virt. eigenvalues --    2.00890   2.04274   2.06636   2.06755   2.09361
 Alpha virt. eigenvalues --    2.11737   2.13302   2.14483   2.15125   2.17278
 Alpha virt. eigenvalues --    2.18024   2.21383   2.23355   2.24993   2.25497
 Alpha virt. eigenvalues --    2.27268   2.29082   2.30128   2.31359   2.32155
 Alpha virt. eigenvalues --    2.33276   2.33748   2.37494   2.38442   2.40205
 Alpha virt. eigenvalues --    2.41095   2.42770   2.45220   2.49219   2.52770
 Alpha virt. eigenvalues --    2.55437   2.58578   2.59338   2.61577   2.63496
 Alpha virt. eigenvalues --    2.65203   2.67154   2.70627   2.71399   2.74243
 Alpha virt. eigenvalues --    2.77968   2.80219   2.82644   2.91834   2.92206
 Alpha virt. eigenvalues --    2.93158   2.97272   3.00628   3.11290   3.14075
 Alpha virt. eigenvalues --    3.17013   3.22022   3.39210   3.40975   3.43852
 Alpha virt. eigenvalues --    3.46393   3.49632   3.51799   3.54155   3.55512
 Alpha virt. eigenvalues --    3.57301   3.62685   3.75390   3.79191   3.94655
 Alpha virt. eigenvalues --    4.10160
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.756891   0.381889  -0.637073   0.064589   0.029795  -0.309362
     2  C    0.381889   6.738740  -0.386004  -0.402984   0.037464   0.194701
     3  C   -0.637073  -0.386004  11.130875  -2.682228  -0.046243  -0.035552
     4  C    0.064589  -0.402984  -2.682228   7.408688  -0.055784  -0.019098
     5  O    0.029795   0.037464  -0.046243  -0.055784   8.296496  -0.021230
     6  C   -0.309362   0.194701  -0.035552  -0.019098  -0.021230   4.672392
     7  N    0.125825   0.025061  -0.897763   0.370459   0.006982  -0.033613
     8  O    0.009681   0.049606  -0.009608   0.208210  -0.030011  -0.010607
     9  H    0.096294   0.270978  -1.365958   0.244540  -0.020109  -0.021073
    10  H   -0.100633  -0.800048   0.164583   0.182583   0.001223  -0.010922
    11  H   -0.003168   0.001626   0.066206  -0.116256   0.315082  -0.004090
    12  H   -0.008942  -0.010302   0.166923  -0.064295   0.002081   0.004971
    13  H   -0.002664  -0.009007  -0.026557  -0.078711   0.000009   0.016007
    14  H    0.020774   0.208626  -0.360894   0.095307   0.020090   0.128832
    15  H    0.057041   0.202055   0.154273  -0.089104  -0.001079   0.026856
    16  H   -0.186297  -0.114268   0.045637   0.091869  -0.024344   0.429769
    17  H    0.137366   0.136423  -0.102724   0.023566  -0.001443  -0.021758
    18  H    0.356679  -0.039625  -0.182253   0.121872  -0.008631  -0.093169
    19  H    0.112487   0.103642   0.086383  -0.040295   0.002887   0.033988
               7          8          9         10         11         12
     1  C    0.125825   0.009681   0.096294  -0.100633  -0.003168  -0.008942
     2  C    0.025061   0.049606   0.270978  -0.800048   0.001626  -0.010302
     3  C   -0.897763  -0.009608  -1.365958   0.164583   0.066206   0.166923
     4  C    0.370459   0.208210   0.244540   0.182583  -0.116256  -0.064295
     5  O    0.006982  -0.030011  -0.020109   0.001223   0.315082   0.002081
     6  C   -0.033613  -0.010607  -0.021073  -0.010922  -0.004090   0.004971
     7  N    6.897665   0.010602   0.176587  -0.017853  -0.000481   0.207220
     8  O    0.010602   8.355611  -0.021712   0.000676  -0.038387   0.001317
     9  H    0.176587  -0.021712   2.200702  -0.045341   0.011121  -0.079436
    10  H   -0.017853   0.000676  -0.045341   2.205819   0.001945   0.015430
    11  H   -0.000481  -0.038387   0.011121   0.001945   0.587869  -0.000643
    12  H    0.207220   0.001317  -0.079436   0.015430  -0.000643   0.916207
    13  H    0.328501   0.016952   0.043637  -0.013903  -0.000933  -0.103254
    14  H    0.041661   0.003088   0.041449  -0.060234   0.001875  -0.000632
    15  H   -0.027265  -0.001202   0.019195  -0.101982  -0.001071  -0.000019
    16  H   -0.002569  -0.010197  -0.021063   0.088117   0.003018   0.000354
    17  H   -0.001603  -0.001088   0.010756  -0.079492   0.000371  -0.006687
    18  H    0.013985   0.004820   0.009262   0.077744   0.002182   0.001972
    19  H    0.003120  -0.001149   0.006930  -0.057302  -0.000952   0.000555
              13         14         15         16         17         18
     1  C   -0.002664   0.020774   0.057041  -0.186297   0.137366   0.356679
     2  C   -0.009007   0.208626   0.202055  -0.114268   0.136423  -0.039625
     3  C   -0.026557  -0.360894   0.154273   0.045637  -0.102724  -0.182253
     4  C   -0.078711   0.095307  -0.089104   0.091869   0.023566   0.121872
     5  O    0.000009   0.020090  -0.001079  -0.024344  -0.001443  -0.008631
     6  C    0.016007   0.128832   0.026856   0.429769  -0.021758  -0.093169
     7  N    0.328501   0.041661  -0.027265  -0.002569  -0.001603   0.013985
     8  O    0.016952   0.003088  -0.001202  -0.010197  -0.001088   0.004820
     9  H    0.043637   0.041449   0.019195  -0.021063   0.010756   0.009262
    10  H   -0.013903  -0.060234  -0.101982   0.088117  -0.079492   0.077744
    11  H   -0.000933   0.001875  -0.001071   0.003018   0.000371   0.002182
    12  H   -0.103254  -0.000632  -0.000019   0.000354  -0.006687   0.001972
    13  H    0.805659   0.002576  -0.001526   0.001869   0.037988  -0.007367
    14  H    0.002576   1.700141  -0.396708  -0.237016  -0.016017  -0.002303
    15  H   -0.001526  -0.396708   1.732109  -0.377550   0.029200  -0.017288
    16  H    0.001869  -0.237016  -0.377550   1.440873  -0.007657   0.017488
    17  H    0.037988  -0.016017   0.029200  -0.007657   1.755226  -0.238854
    18  H   -0.007367  -0.002303  -0.017288   0.017488  -0.238854   1.460851
    19  H   -0.002228   0.026510  -0.018147  -0.019020  -0.434689  -0.324398
              19
     1  C    0.112487
     2  C    0.103642
     3  C    0.086383
     4  C   -0.040295
     5  O    0.002887
     6  C    0.033988
     7  N    0.003120
     8  O   -0.001149
     9  H    0.006930
    10  H   -0.057302
    11  H   -0.000952
    12  H    0.000555
    13  H   -0.002228
    14  H    0.026510
    15  H   -0.018147
    16  H   -0.019020
    17  H   -0.434689
    18  H   -0.324398
    19  H    1.715459
 Mulliken charges:
               1
     1  C    1.098828
     2  C   -0.588574
     3  C    0.917976
     4  C    0.737072
     5  O   -0.503235
     6  C    1.072957
     7  N   -0.226520
     8  O   -0.536601
     9  H   -0.556756
    10  H   -0.450409
    11  H    0.174687
    12  H   -0.042821
    13  H   -0.007046
    14  H   -0.217127
    15  H   -0.187788
    16  H   -0.119012
    17  H   -0.218884
    18  H   -0.152967
    19  H   -0.193780
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.533197
     2  C   -1.038983
     3  C    0.361219
     4  C    0.737072
     5  O   -0.328548
     6  C    0.549031
     7  N   -0.276387
     8  O   -0.536601
 Electronic spatial extent (au):  <R**2>=            996.7149
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2094    Y=             -1.2454    Z=             -0.6950  Tot=              1.4415
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.6445   YY=            -49.5506   ZZ=            -51.8203
   XY=              0.7971   XZ=              3.0673   YZ=             -1.3608
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0273   YY=              0.1212   ZZ=             -2.1485
   XY=              0.7971   XZ=              3.0673   YZ=             -1.3608
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.3892  YYY=             -3.2702  ZZZ=             -5.0005  XYY=            -17.3751
  XXY=            -10.0262  XXZ=             -2.7780  XZZ=             -3.0956  YZZ=             -3.3137
  YYZ=              8.7333  XYZ=             10.3162
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -574.2004 YYYY=           -429.6002 ZZZZ=           -248.8156 XXXY=             30.8232
 XXXZ=              1.1888 YYYX=              4.3957 YYYZ=              4.8831 ZZZX=              4.5048
 ZZZY=             -1.1801 XXYY=           -154.2093 XXZZ=           -150.0069 YYZZ=           -117.0244
 XXYZ=            -16.5316 YYXZ=              0.4566 ZZXY=             -2.2265
 N-N= 4.110358899506D+02 E-N=-1.761330366289D+03  KE= 3.998093280874D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:25:02 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09649685D-01-4.57291820D-01-2.67849514D-01
 Polarizability= 7.62567824D+01 3.46320789D-01 7.79479083D+01
                -8.36961919D-01 1.91988343D+00 6.93000600D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7459    0.7460        0.3718    0.3732
 2     -0.7459   -0.7460       -0.8117   -0.8109        0.8721    0.8714
 3     -0.3718   -0.3732        3.5891    3.5863        0.8107    0.8109
 4      0.8117    0.8109        0.0000    0.0000       -0.3700   -0.3732
 5     -4.4612   -4.4577        0.3700    0.3732        0.7456    0.7460
 6     -0.8107   -0.8109       -0.7456   -0.7460        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.2381   -2.2381        1.1195    1.1195
 2      2.4328    2.4328       -0.0000    0.0000        1.1195    1.1195
 3      2.4328    2.4328       -2.2381   -2.2381       -0.0000    0.0000
 4     -2.2381   -2.2381       -2.4328   -2.4328        2.6142    2.6142
 5     -1.1195   -1.1195       10.7589   10.7589        2.4328    2.4328
 6    -13.3731  -13.3731        1.1195    1.1195        2.2381    2.2381
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4779    0.0000       -6.1173   -2.9842       -3.0982   -1.4926
 2      3.2031    2.9842        4.2224    3.2438       -3.0825   -3.4856
 3      1.7890    1.4926      -13.4998  -14.3452       -2.8643   -3.2438
 4     -3.4333   -3.2438       -0.1419    0.0000        1.6473    1.4926
 5     17.5352   17.8308       -1.8199   -1.4926       -3.0501   -2.9842
 6      3.2490    3.2438        2.9327    2.9842        0.0499    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0494    0.0000       11.5864   10.7493      -10.6467  -11.6703
 2    -10.6560  -10.7493       -0.6846   -1.2951        1.7687    1.0602
 3     13.0231   11.6703       15.8067    8.6264        5.0281    1.2951
 4      1.0674    1.2951       -0.2361    0.0000       11.6312   11.6703
 5     -9.9491   -9.6866      -13.0179  -11.6703       10.2934   10.7493
 6     -0.9636   -1.2951      -11.1324  -10.7493       -0.9372    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7323   -1.0023       24.9115   25.1153       34.3982   34.9576
 2     -4.8476   -4.7496       41.0639   41.1966       35.3594   34.9576
 3     -4.8379   -4.7496       24.1953   25.1153       50.2216   50.9172
 4    -16.0587  -16.0813        3.8386    3.7472        8.2870    7.6854
 5     17.9394   15.9596       20.2134   10.5547        1.4568   -3.7472
 6    -17.9582  -18.2401      -16.6975  -15.9596       15.6182   16.0813
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7425   -2.9908    0.0009    0.0009    0.0011    2.7338
 Low frequencies ---   38.9583   92.1801  177.1261
 Diagonal vibrational polarizability:
       23.9802770      20.7247586      30.4781156
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.9564                92.1772               177.1253
 Red. masses --      4.7894                 3.4434                 3.8491
 Frc consts  --      0.0043                 0.0172                 0.0711
 IR Inten    --      1.0385                 0.6045                 0.0629
 RamAct Fr= 1--      0.8158                 0.5822                 0.4405
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7119
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8317
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.1165                 0.0832                 0.0611
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0003
 Gamma2 Fr= 1--     -0.0243                 0.0274                 0.1306
 Delta2 Fr= 1--      0.0465                -0.0016                 0.1001
 Raman1 Fr= 1--       3.263                  2.329                  1.762
 ROA1   Fr= 1--      -0.846                  2.582                 15.743
 CID1   Fr= 1--      -0.259                  1.109                  8.935
 Raman2 Fr= 1--       1.398                  0.998                  0.733
 ROA2   Fr= 1--      -0.956                  0.671                  2.334
 CID2   Fr= 1--      -0.683                  0.673                  3.186
 Raman3 Fr= 1--       2.797                  1.996                  1.465
 ROA3   Fr= 1--      -0.846                  2.582                 15.743
 CID3   Fr= 1--      -0.303                  1.293                 10.743
 RC180  Fr= 1--       0.714                  0.714                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.18   0.09    -0.14  -0.07   0.13    -0.20  -0.04   0.04
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.05    -0.08  -0.00  -0.00
     3   6    -0.01   0.01   0.00     0.01  -0.05  -0.03    -0.02   0.09  -0.09
     4   6    -0.02   0.05   0.02     0.02   0.01   0.02     0.08   0.02  -0.03
     5   8     0.18  -0.08   0.23    -0.16   0.08  -0.02     0.21  -0.04   0.03
     6   6     0.08   0.02  -0.22     0.13   0.06  -0.09    -0.22  -0.03   0.03
     7   7     0.02   0.01  -0.02    -0.04  -0.07  -0.17     0.01   0.09  -0.07
     8   8    -0.18   0.19  -0.13     0.18  -0.00   0.11     0.19  -0.05   0.06
     9   1    -0.02  -0.01   0.01     0.04  -0.15   0.01    -0.02   0.10  -0.10
    10   1    -0.01   0.14   0.09     0.02   0.16   0.14     0.03  -0.06   0.06
    11   1     0.15  -0.03   0.23    -0.13   0.12   0.03     0.36  -0.14   0.13
    12   1     0.03   0.02  -0.02    -0.05  -0.14  -0.19     0.02   0.12  -0.07
    13   1     0.02   0.02  -0.02    -0.03   0.02  -0.21     0.03   0.08  -0.07
    14   1     0.15   0.15  -0.29     0.34   0.17  -0.19    -0.32  -0.04   0.07
    15   1     0.09   0.05  -0.20     0.10   0.11   0.09    -0.23  -0.12  -0.02
    16   1     0.08  -0.13  -0.33     0.02  -0.07  -0.26    -0.22   0.06   0.09
    17   1    -0.18  -0.19   0.26    -0.34  -0.09   0.27    -0.03  -0.03   0.02
    18   1    -0.07  -0.35   0.01    -0.09  -0.28   0.06    -0.38   0.07  -0.06
    19   1    -0.07  -0.14   0.08    -0.11   0.08   0.13    -0.28  -0.20   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.2222               244.6393               247.0789
 Red. masses --      1.1300                 1.9199                 1.0562
 Frc consts  --      0.0326                 0.0677                 0.0380
 IR Inten    --     25.8773                 6.3840                 5.1605
 RamAct Fr= 1--      0.0681                 0.1359                 0.5163
  Dep-P Fr= 1--      0.6464                 0.2883                 0.3583
  Dep-U Fr= 1--      0.7852                 0.4475                 0.5276
 Alpha2 Fr= 1--      0.0001                 0.0014                 0.0044
 Beta2  Fr= 1--      0.0089                 0.0101                 0.0454
 AlphaG Fr= 1--     -0.0003                 0.0046                 0.0075
 Gamma2 Fr= 1--     -0.1051                 0.0889                 0.0515
 Delta2 Fr= 1--     -0.0354                 0.0225                 0.0006
 Raman1 Fr= 1--       0.273                  0.544                  2.065
 ROA1   Fr= 1--     -11.225                  9.254                  4.960
 CID1   Fr= 1--     -41.177                 17.019                  2.402
 Raman2 Fr= 1--       0.107                  0.122                  0.545
 ROA2   Fr= 1--      -2.240                  1.953                  1.231
 CID2   Fr= 1--     -20.928                 16.055                  2.259
 Raman3 Fr= 1--       0.214                  0.243                  1.090
 ROA3   Fr= 1--     -11.225                  9.254                  4.960
 CID3   Fr= 1--     -52.439                 38.028                  4.552
 RC180  Fr= 1--       0.570                 -0.105                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.12   0.05  -0.05     0.00   0.02  -0.03
     2   6     0.00   0.02   0.00     0.00  -0.03  -0.04    -0.01  -0.00  -0.01
     3   6    -0.00  -0.01   0.01     0.00  -0.03  -0.04    -0.01   0.01  -0.01
     4   6    -0.01  -0.00   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.01
     5   8    -0.01   0.00  -0.01    -0.06  -0.02   0.05     0.02  -0.01   0.01
     6   6     0.03   0.03  -0.02     0.09  -0.02  -0.02    -0.03  -0.01   0.01
     7   7     0.02  -0.02  -0.06     0.02  -0.01   0.15     0.02   0.01   0.00
     8   8    -0.03  -0.02   0.02     0.07   0.05  -0.04    -0.01  -0.01   0.01
     9   1    -0.01  -0.04   0.02    -0.02   0.06  -0.08    -0.03   0.01  -0.01
    10   1    -0.00   0.03   0.01     0.01  -0.02  -0.02     0.00  -0.03  -0.02
    11   1    -0.03  -0.00  -0.02    -0.06   0.06   0.09     0.02  -0.02   0.00
    12   1    -0.27  -0.02   0.39     0.18   0.07  -0.05    -0.11   0.03   0.22
    13   1     0.56   0.08  -0.03    -0.27  -0.18   0.19     0.27   0.03   0.03
    14   1    -0.06   0.02   0.01     0.25  -0.02  -0.06     0.46   0.08  -0.15
    15   1     0.06   0.05  -0.13     0.07   0.04   0.12    -0.14  -0.05   0.53
    16   1     0.12   0.01   0.04     0.02  -0.07  -0.11    -0.43  -0.05  -0.34
    17   1     0.35   0.03  -0.05     0.21   0.08  -0.26    -0.05   0.02  -0.02
    18   1    -0.24   0.26  -0.05    -0.42   0.38  -0.13     0.06  -0.01   0.00
    19   1    -0.12  -0.31   0.17    -0.25  -0.22   0.23     0.03   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    273.6378               296.6059               355.0496
 Red. masses --      1.4241                 3.1899                 2.6072
 Frc consts  --      0.0628                 0.1653                 0.1936
 IR Inten    --      7.2875                13.4854                 2.2198
 RamAct Fr= 1--      0.3750                 0.3591                 0.9542
  Dep-P Fr= 1--      0.1434                 0.3460                 0.7106
  Dep-U Fr= 1--      0.2508                 0.5141                 0.8308
 Alpha2 Fr= 1--      0.0059                 0.0032                 0.0007
 Beta2  Fr= 1--      0.0157                 0.0308                 0.1321
 AlphaG Fr= 1--     -0.0115                -0.0004                -0.0027
 Gamma2 Fr= 1--      0.1229                -0.2203                -0.1965
 Delta2 Fr= 1--      0.0274                -0.0486                 0.1395
 Raman1 Fr= 1--       1.500                  1.437                  3.817
 ROA1   Fr= 1--      12.677                -22.703                -14.402
 CID1   Fr= 1--       8.452                -15.804                 -3.773
 Raman2 Fr= 1--       0.188                  0.369                  1.585
 ROA2   Fr= 1--       2.731                 -4.898                 -5.833
 CID2   Fr= 1--      14.517                -13.265                 -3.679
 Raman3 Fr= 1--       0.376                  0.738                  3.171
 ROA3   Fr= 1--      12.677                -22.703                -14.402
 CID3   Fr= 1--      33.695                -30.743                 -4.542
 RC180  Fr= 1--      -0.498                  0.028                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.01   0.04    -0.08   0.06  -0.07    -0.01   0.17   0.06
     2   6     0.03   0.02   0.05    -0.05  -0.05  -0.02     0.04   0.04   0.09
     3   6     0.03   0.01   0.04    -0.05   0.02   0.05     0.07  -0.04   0.03
     4   6     0.01   0.00   0.02    -0.07   0.04   0.09     0.01  -0.07  -0.01
     5   8     0.02   0.01  -0.01     0.05   0.04  -0.03    -0.07  -0.08   0.05
     6   6    -0.05   0.01  -0.04     0.08  -0.03  -0.05    -0.15   0.03  -0.15
     7   7    -0.08  -0.01  -0.06     0.22   0.03  -0.08     0.13  -0.05   0.01
     8   8    -0.03  -0.01   0.01    -0.13  -0.12   0.15     0.02  -0.02  -0.04
     9   1     0.06  -0.05   0.06    -0.15  -0.03   0.09     0.15  -0.05   0.02
    10   1     0.04   0.01   0.04    -0.11  -0.03  -0.05     0.04   0.05   0.10
    11   1    -0.01   0.00  -0.05     0.10  -0.12  -0.05    -0.12   0.05   0.06
    12   1     0.09  -0.12  -0.36     0.52   0.16  -0.47     0.15   0.00   0.01
    13   1    -0.42   0.03  -0.12    -0.05   0.16  -0.17     0.15  -0.04   0.01
    14   1     0.08   0.13  -0.13     0.14  -0.02  -0.07    -0.36   0.30  -0.21
    15   1    -0.10  -0.09   0.11     0.10   0.08  -0.04    -0.16  -0.21  -0.34
    16   1    -0.22  -0.03  -0.21     0.13  -0.13  -0.08    -0.16  -0.03  -0.20
    17   1     0.46   0.02  -0.06    -0.08   0.06  -0.20    -0.16   0.16  -0.07
    18   1    -0.10   0.27   0.02    -0.12   0.15  -0.05     0.06   0.17   0.12
    19   1    -0.01  -0.35   0.15    -0.09   0.10   0.01     0.04   0.36   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.4821               454.5686               526.0454
 Red. masses --      3.1232                 2.5839                 3.8270
 Frc consts  --      0.2806                 0.3146                 0.6240
 IR Inten    --      7.1299                 5.4136                13.1365
 RamAct Fr= 1--      0.9100                 0.6676                 3.2973
  Dep-P Fr= 1--      0.5463                 0.5561                 0.1060
  Dep-U Fr= 1--      0.7066                 0.7148                 0.1916
 Alpha2 Fr= 1--      0.0036                 0.0025                 0.0569
 Beta2  Fr= 1--      0.1072                 0.0795                 0.1053
 AlphaG Fr= 1--      0.0073                 0.0069                -0.0062
 Gamma2 Fr= 1--      0.3401                 0.1468                 0.4168
 Delta2 Fr= 1--     -0.0133                 0.0297                 0.1111
 Raman1 Fr= 1--       3.640                  2.670                 13.189
 ROA1   Fr= 1--      32.224                 15.040                 43.563
 CID1   Fr= 1--       8.853                  5.632                  3.303
 Raman2 Fr= 1--       1.286                  0.954                  1.264
 ROA2   Fr= 1--       8.269                  3.284                  9.114
 CID2   Fr= 1--       6.431                  3.441                  7.211
 Raman3 Fr= 1--       2.572                  1.909                  2.528
 ROA3   Fr= 1--      32.224                 15.040                 43.563
 CID3   Fr= 1--      12.530                  7.880                 17.234
 RC180  Fr= 1--       0.413                  0.430                 -0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.08  -0.04     0.07   0.07   0.07     0.00   0.03   0.02
     2   6     0.08  -0.09  -0.00    -0.16  -0.10   0.16     0.12  -0.09   0.03
     3   6     0.08  -0.05   0.09    -0.11  -0.00  -0.02     0.09   0.17  -0.02
     4   6     0.09   0.06   0.10    -0.08   0.05  -0.08     0.01  -0.00  -0.06
     5   8     0.12   0.13  -0.09     0.04   0.00  -0.05    -0.10  -0.03   0.11
     6   6    -0.01  -0.13  -0.07     0.05  -0.09  -0.04     0.08  -0.19  -0.01
     7   7    -0.13  -0.08   0.03    -0.03   0.01  -0.00    -0.10   0.24  -0.08
     8   8    -0.04   0.07   0.03     0.09   0.06  -0.01    -0.05  -0.13  -0.02
     9   1    -0.02  -0.10   0.12     0.01   0.01  -0.03     0.13   0.24  -0.06
    10   1     0.10  -0.12  -0.00    -0.18  -0.09   0.15     0.23  -0.19   0.07
    11   1    -0.06   0.06  -0.32     0.29  -0.21   0.10    -0.07   0.24   0.28
    12   1    -0.30  -0.28   0.21    -0.08   0.05   0.09    -0.25   0.03   0.05
    13   1    -0.04  -0.06   0.03     0.06  -0.01   0.02    -0.00   0.32  -0.10
    14   1    -0.10  -0.03  -0.09     0.13   0.07  -0.13     0.06  -0.14  -0.03
    15   1    -0.01  -0.22  -0.16     0.12   0.11  -0.14     0.09  -0.19  -0.07
    16   1    -0.01  -0.15  -0.08     0.20  -0.40  -0.14     0.11  -0.24  -0.02
    17   1    -0.31   0.07  -0.22     0.14   0.08  -0.15    -0.16   0.02  -0.15
    18   1    -0.15   0.10  -0.06     0.24   0.27   0.32    -0.05   0.07   0.00
    19   1    -0.10   0.32   0.15     0.13   0.09  -0.15     0.01   0.22   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    617.8145               671.2331               738.2570
 Red. masses --      1.3082                 3.2033                 3.0117
 Frc consts  --      0.2942                 0.8503                 0.9671
 IR Inten    --     82.8787                14.0096                33.6490
 RamAct Fr= 1--      0.4839                 3.5333                13.4869
  Dep-P Fr= 1--      0.7230                 0.2430                 0.0401
  Dep-U Fr= 1--      0.8392                 0.3909                 0.0771
 Alpha2 Fr= 1--      0.0002                 0.0427                 0.2727
 Beta2  Fr= 1--      0.0677                 0.2302                 0.1733
 AlphaG Fr= 1--     -0.0040                -0.0367                 0.0562
 Gamma2 Fr= 1--     -0.4827                -0.9476                 0.3458
 Delta2 Fr= 1--      0.1435                -0.2712                -0.2890
 Raman1 Fr= 1--       1.936                 14.133                 53.948
 ROA1   Fr= 1--     -41.752                -99.652                 23.949
 CID1   Fr= 1--     -21.571                 -7.051                  0.444
 Raman2 Fr= 1--       0.812                  2.763                  2.080
 ROA2   Fr= 1--     -12.734                -20.573                 10.612
 CID2   Fr= 1--     -15.678                 -7.447                  5.102
 Raman3 Fr= 1--       1.624                  5.525                  4.160
 ROA3   Fr= 1--     -41.752                -99.652                 23.949
 CID3   Fr= 1--     -25.703                -18.036                  5.757
 RC180  Fr= 1--       0.678                 -0.218                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.01  -0.01  -0.04    -0.06  -0.05  -0.10
     2   6     0.08   0.01  -0.02     0.06   0.00  -0.03    -0.16  -0.02   0.04
     3   6     0.02  -0.02  -0.03    -0.02   0.05   0.20     0.08   0.02   0.16
     4   6    -0.05   0.05  -0.04    -0.04  -0.11   0.10     0.23  -0.07   0.03
     5   8    -0.04   0.06  -0.02    -0.07  -0.17  -0.12    -0.06   0.08   0.00
     6   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.01
     7   7    -0.01  -0.04   0.02    -0.00   0.09  -0.03     0.01   0.00  -0.00
     8   8    -0.04  -0.02   0.02     0.07   0.18  -0.02    -0.02  -0.06  -0.12
     9   1     0.05  -0.04  -0.03    -0.05   0.08   0.18     0.07   0.01   0.17
    10   1     0.07   0.02  -0.02    -0.01   0.00  -0.09    -0.13  -0.07   0.04
    11   1     0.69  -0.35   0.54     0.26  -0.63  -0.01     0.35   0.13   0.46
    12   1    -0.03  -0.05   0.05     0.03   0.00  -0.12    -0.03  -0.21  -0.03
    13   1    -0.03  -0.12   0.05     0.10   0.41  -0.16     0.00   0.21  -0.10
    14   1    -0.05   0.01   0.01    -0.00  -0.05   0.01     0.11   0.06  -0.02
    15   1    -0.03  -0.12   0.01    -0.01  -0.08   0.04     0.02   0.38   0.00
    16   1    -0.07   0.09   0.00    -0.03   0.05   0.01     0.12  -0.14  -0.00
    17   1    -0.03   0.00   0.03    -0.10  -0.02  -0.04     0.02  -0.05  -0.17
    18   1    -0.05  -0.03  -0.06    -0.12  -0.04  -0.15     0.06   0.04   0.05
    19   1    -0.01   0.03   0.09    -0.04   0.05   0.15    -0.02  -0.09  -0.28
                     16                     17                     18
                      A                      A                      A
 Frequencies --    820.2330               844.6948               920.6489
 Red. masses --      3.9346                 2.0312                 1.7460
 Frc consts  --      1.5597                 0.8539                 0.8719
 IR Inten    --      9.7454                72.4114                91.1734
 RamAct Fr= 1--      6.3353                 1.8413                 2.2432
  Dep-P Fr= 1--      0.0775                 0.6858                 0.6160
  Dep-U Fr= 1--      0.1439                 0.8137                 0.7624
 Alpha2 Fr= 1--      0.1171                 0.0021                 0.0055
 Beta2  Fr= 1--      0.1520                 0.2497                 0.2850
 AlphaG Fr= 1--     -0.0752                -0.0001                -0.0193
 Gamma2 Fr= 1--     -0.0260                -0.4626                -0.1001
 Delta2 Fr= 1--      1.0164                -0.3253                -0.0590
 Raman1 Fr= 1--      25.341                  7.365                  8.973
 ROA1   Fr= 1--      30.034                -54.818                -11.500
 CID1   Fr= 1--       1.185                 -7.443                 -1.282
 Raman2 Fr= 1--       1.824                  2.996                  3.420
 ROA2   Fr= 1--      -8.754                 -8.501                 -1.931
 CID2   Fr= 1--      -4.800                 -2.837                 -0.565
 Raman3 Fr= 1--       3.647                  5.993                  6.841
 ROA3   Fr= 1--      30.034                -54.818                -11.500
 CID3   Fr= 1--       8.235                 -9.148                 -1.681
 RC180  Fr= 1--      -0.712                  0.627                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.04  -0.05  -0.07    -0.02  -0.06  -0.06
     2   6    -0.04   0.04  -0.08    -0.03  -0.03   0.06     0.05  -0.04   0.07
     3   6    -0.05  -0.01  -0.23     0.15  -0.02  -0.09     0.03   0.06  -0.11
     4   6     0.23  -0.14   0.24    -0.06   0.00   0.05     0.01  -0.01   0.04
     5   8    -0.06   0.02  -0.06    -0.01  -0.06  -0.02    -0.01  -0.01  -0.01
     6   6     0.00  -0.09  -0.02    -0.03   0.08   0.02    -0.01   0.07   0.05
     7   7     0.01   0.07  -0.02     0.05   0.09  -0.04    -0.10  -0.09   0.05
     8   8    -0.09   0.05  -0.01    -0.03   0.04   0.08    -0.02   0.02   0.02
     9   1    -0.37  -0.06  -0.17     0.23  -0.04  -0.09     0.07   0.11  -0.13
    10   1     0.15   0.00   0.08     0.15  -0.11   0.16     0.25  -0.15   0.18
    11   1     0.16  -0.24   0.05    -0.03  -0.25  -0.13     0.00  -0.09  -0.03
    12   1     0.05   0.30   0.02    -0.29  -0.30   0.27     0.30   0.41  -0.28
    13   1    -0.08  -0.27   0.12    -0.36  -0.36   0.13     0.41   0.26  -0.07
    14   1     0.04  -0.19   0.01     0.01   0.18  -0.03    -0.03   0.30  -0.05
    15   1     0.01  -0.04   0.01     0.01   0.19  -0.05     0.02   0.06  -0.09
    16   1     0.04  -0.09   0.01     0.05  -0.08  -0.02     0.03  -0.11  -0.06
    17   1     0.16   0.09   0.29     0.01  -0.05  -0.22    -0.03  -0.06  -0.26
    18   1     0.15   0.06   0.26     0.06   0.04   0.06     0.03   0.06   0.04
    19   1     0.04  -0.05  -0.08     0.00  -0.04  -0.21     0.02   0.05  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.9160               955.6076               974.3675
 Red. masses --      1.2039                 2.2520                 1.4323
 Frc consts  --      0.6253                 1.2117                 0.8012
 IR Inten    --      0.5922                14.2920                 0.6999
 RamAct Fr= 1--      0.6493                 6.1699                 2.2803
  Dep-P Fr= 1--      0.7220                 0.6889                 0.6939
  Dep-U Fr= 1--      0.8386                 0.8158                 0.8193
 Alpha2 Fr= 1--      0.0003                 0.0066                 0.0022
 Beta2  Fr= 1--      0.0907                 0.8389                 0.3114
 AlphaG Fr= 1--     -0.0019                -0.0044                 0.0008
 Gamma2 Fr= 1--     -0.7522                -0.6211                 0.1836
 Delta2 Fr= 1--     -0.4687                 0.6419                 0.3016
 Raman1 Fr= 1--       2.597                 24.680                  9.121
 ROA1   Fr= 1--     -87.211                -39.086                 27.274
 CID1   Fr= 1--     -33.578                 -1.584                  2.990
 Raman2 Fr= 1--       1.089                 10.067                  3.737
 ROA2   Fr= 1--     -14.304                -20.042                  1.993
 CID2   Fr= 1--     -13.135                 -1.991                  0.533
 Raman3 Fr= 1--       2.178                 20.133                  7.473
 ROA3   Fr= 1--     -87.211                -39.086                 27.274
 CID3   Fr= 1--     -40.043                 -1.941                  3.650
 RC180  Fr= 1--       0.677                  0.632                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07  -0.05    -0.02   0.06   0.06     0.10  -0.02   0.07
     2   6    -0.01   0.05   0.01    -0.08   0.06  -0.09     0.01  -0.08  -0.04
     3   6     0.02   0.01  -0.00     0.18   0.09  -0.01    -0.03   0.00  -0.01
     4   6    -0.01   0.00  -0.00    -0.06   0.04  -0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.01  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.05   0.07    -0.06  -0.08  -0.08    -0.09   0.08  -0.02
     7   7    -0.00  -0.01   0.00    -0.03  -0.11   0.04     0.01  -0.00  -0.01
     8   8    -0.00   0.00   0.01    -0.01   0.02   0.05     0.00  -0.00  -0.00
     9   1     0.04  -0.00   0.00     0.26   0.21  -0.07    -0.06  -0.03   0.00
    10   1     0.00  -0.29  -0.20     0.07   0.03   0.03     0.01  -0.29  -0.18
    11   1    -0.00  -0.01  -0.00    -0.01  -0.11  -0.04    -0.00   0.01  -0.00
    12   1     0.01  -0.01  -0.01     0.09  -0.16  -0.14    -0.02   0.02   0.03
    13   1    -0.01  -0.02   0.01     0.15   0.18  -0.08    -0.03  -0.08   0.02
    14   1     0.04   0.32  -0.11     0.21  -0.54   0.05     0.17  -0.06  -0.02
    15   1     0.05   0.05  -0.18     0.00   0.38   0.13     0.00   0.53   0.01
    16   1     0.09  -0.44  -0.13     0.14  -0.01   0.13     0.16  -0.10   0.05
    17   1     0.04   0.06   0.49     0.10   0.07   0.19    -0.22  -0.04  -0.12
    18   1    -0.09  -0.29  -0.32     0.08   0.03   0.14    -0.17   0.03  -0.14
    19   1    -0.07  -0.20   0.03     0.01  -0.05  -0.13     0.04   0.26   0.54
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1087.9902              1123.5257              1135.8484
 Red. masses --      1.5720                 3.0551                 1.9296
 Frc consts  --      1.0964                 2.2721                 1.4668
 IR Inten    --      4.5441                65.6801               155.7992
 RamAct Fr= 1--      4.4575                 1.7091                 1.8143
  Dep-P Fr= 1--      0.6832                 0.2639                 0.7313
  Dep-U Fr= 1--      0.8118                 0.4175                 0.8448
 Alpha2 Fr= 1--      0.0052                 0.0195                 0.0006
 Beta2  Fr= 1--      0.6031                 0.1189                 0.2555
 AlphaG Fr= 1--      0.0067                 0.0249                -0.0031
 Gamma2 Fr= 1--     -0.3022                -0.2034                 0.2731
 Delta2 Fr= 1--      0.1253                -0.2453                -0.4141
 Raman1 Fr= 1--      17.830                  6.837                  7.257
 ROA1   Fr= 1--     -24.999                -27.375                 12.970
 CID1   Fr= 1--      -1.402                 -4.004                  1.787
 Raman2 Fr= 1--       7.237                  1.427                  3.066
 ROA2   Fr= 1--      -8.254                 -2.919                  9.868
 CID2   Fr= 1--      -1.141                 -2.045                  3.219
 Raman3 Fr= 1--      14.475                  2.855                  6.131
 ROA3   Fr= 1--     -24.999                -27.375                 12.970
 CID3   Fr= 1--      -1.727                 -9.590                  2.115
 RC180  Fr= 1--       0.624                 -0.165                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.08     0.05  -0.06  -0.04    -0.04   0.01   0.00
     2   6    -0.03   0.12   0.10    -0.02   0.10   0.06     0.07   0.00  -0.00
     3   6     0.00  -0.03  -0.01    -0.10   0.27  -0.03     0.01  -0.07   0.05
     4   6     0.00  -0.04   0.02     0.10   0.08   0.02     0.06   0.16  -0.03
     5   8     0.01   0.03   0.01    -0.03  -0.11  -0.06    -0.02  -0.13  -0.07
     6   6    -0.02  -0.08  -0.04     0.03  -0.06   0.03    -0.05  -0.01  -0.01
     7   7    -0.02   0.03  -0.02     0.07  -0.17  -0.02    -0.04   0.04  -0.01
     8   8    -0.01   0.00  -0.00    -0.02   0.02   0.03    -0.01   0.01   0.04
     9   1     0.51  -0.30   0.05    -0.16   0.22   0.01    -0.20  -0.48   0.25
    10   1    -0.18   0.26   0.05    -0.07   0.23   0.09     0.13  -0.02   0.04
    11   1    -0.00  -0.08  -0.05    -0.00   0.31   0.19     0.04   0.43   0.27
    12   1     0.08   0.41   0.00    -0.11  -0.35   0.15     0.07   0.36  -0.01
    13   1     0.08  -0.19   0.10    -0.19  -0.38   0.05     0.05  -0.15   0.09
    14   1     0.08  -0.28   0.02    -0.02   0.02   0.00     0.09  -0.08  -0.01
    15   1    -0.01   0.06   0.08     0.02  -0.15  -0.02     0.00   0.23  -0.00
    16   1     0.07  -0.05   0.06    -0.00  -0.12  -0.03     0.08  -0.06   0.04
    17   1    -0.14  -0.05  -0.11    -0.14  -0.07  -0.23     0.10   0.02   0.02
    18   1    -0.15  -0.05  -0.25    -0.11   0.05  -0.12     0.08  -0.01   0.09
    19   1    -0.01   0.07   0.18     0.03   0.15   0.21    -0.01  -0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1148.7457              1206.5749              1243.3324
 Red. masses --      2.0159                 2.0079                 1.5588
 Frc consts  --      1.5673                 1.7223                 1.4197
 IR Inten    --     52.5007                 1.8064                 9.8710
 RamAct Fr= 1--      1.0077                 3.6834                 0.9196
  Dep-P Fr= 1--      0.5336                 0.5582                 0.4754
  Dep-U Fr= 1--      0.6959                 0.7165                 0.6444
 Alpha2 Fr= 1--      0.0042                 0.0134                 0.0051
 Beta2  Fr= 1--      0.1169                 0.4398                 0.0988
 AlphaG Fr= 1--     -0.0160                 0.0056                 0.0129
 Gamma2 Fr= 1--      0.4489                 0.1534                -0.1139
 Delta2 Fr= 1--      0.4239                -0.2118                 0.0688
 Raman1 Fr= 1--       4.031                 14.734                  3.678
 ROA1   Fr= 1--      56.654                  7.951                 -8.738
 CID1   Fr= 1--      14.055                  0.540                 -2.375
 Raman2 Fr= 1--       1.402                  5.278                  1.185
 ROA2   Fr= 1--       7.381                  5.376                 -3.285
 CID2   Fr= 1--       5.263                  1.019                 -2.771
 Raman3 Fr= 1--       2.805                 10.556                  2.370
 ROA3   Fr= 1--      56.654                  7.951                 -8.738
 CID3   Fr= 1--      20.199                  0.753                 -3.686
 RC180  Fr= 1--       0.392                  0.433                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.02   0.10  -0.08     0.04   0.00  -0.04
     2   6     0.14   0.12  -0.02     0.06  -0.12   0.16     0.03   0.05   0.08
     3   6    -0.09   0.03   0.06    -0.07   0.08  -0.00    -0.02  -0.14  -0.08
     4   6    -0.07  -0.08  -0.02     0.01  -0.03   0.01     0.01   0.02   0.00
     5   8     0.02   0.07   0.04    -0.00   0.01   0.00     0.01  -0.02  -0.02
     6   6    -0.09  -0.05   0.02    -0.00   0.05  -0.12    -0.05  -0.03  -0.01
     7   7     0.03  -0.02  -0.02     0.01  -0.03  -0.02     0.02   0.04   0.05
     8   8     0.03  -0.02  -0.04     0.00  -0.00  -0.01    -0.01   0.01   0.02
     9   1    -0.26  -0.00   0.10    -0.04   0.07   0.01    -0.27   0.28  -0.23
    10   1     0.48   0.02   0.23     0.22  -0.24   0.23     0.04   0.31   0.26
    11   1    -0.01  -0.17  -0.12    -0.01  -0.02  -0.03     0.03   0.17   0.10
    12   1    -0.04  -0.01   0.08    -0.02   0.01   0.04    -0.05  -0.39  -0.04
    13   1    -0.10  -0.15   0.03    -0.05  -0.14   0.02    -0.00   0.50  -0.16
    14   1     0.21  -0.04  -0.06     0.02  -0.34   0.06     0.08  -0.09  -0.01
    15   1     0.02   0.32  -0.07    -0.05   0.13   0.23    -0.02   0.14   0.02
    16   1     0.20  -0.34   0.04     0.04   0.38   0.16     0.09  -0.10   0.05
    17   1     0.10  -0.02  -0.17     0.07   0.08   0.35    -0.08  -0.01  -0.00
    18   1     0.10   0.08   0.18     0.03  -0.28  -0.23    -0.08  -0.07  -0.18
    19   1     0.03   0.02  -0.26    -0.09  -0.26  -0.10    -0.00  -0.02   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.3970              1324.0365              1353.8863
 Red. masses --      1.4017                 1.6072                 1.4719
 Frc consts  --      1.3602                 1.6601                 1.5896
 IR Inten    --      2.4937                16.6902                 9.8618
 RamAct Fr= 1--      8.9907                 2.6980                 3.7372
  Dep-P Fr= 1--      0.5411                 0.4996                 0.7263
  Dep-U Fr= 1--      0.7022                 0.6663                 0.8415
 Alpha2 Fr= 1--      0.0361                 0.0134                 0.0015
 Beta2  Fr= 1--      1.0523                 0.2996                 0.5241
 AlphaG Fr= 1--     -0.0240                -0.0072                -0.0041
 Gamma2 Fr= 1--     -1.9666                 0.5174                 1.3333
 Delta2 Fr= 1--      1.0914                -0.6996                 1.0640
 Raman1 Fr= 1--      35.963                 10.792                 14.949
 ROA1   Fr= 1--    -153.868                 27.289                162.041
 CID1   Fr= 1--      -4.279                  2.529                 10.840
 Raman2 Fr= 1--      12.627                  3.595                  6.290
 ROA2   Fr= 1--     -55.929                 18.015                 23.487
 CID2   Fr= 1--      -4.429                  5.011                  3.734
 Raman3 Fr= 1--      25.255                  7.190                 12.579
 ROA3   Fr= 1--    -153.868                 27.289                162.041
 CID3   Fr= 1--      -6.093                  3.795                 12.882
 RC180  Fr= 1--       0.404                  0.333                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.04  -0.01  -0.00     0.02   0.04  -0.02
     2   6     0.08  -0.02  -0.02    -0.12   0.07  -0.02     0.01  -0.12  -0.05
     3   6    -0.10  -0.02   0.00     0.04  -0.02   0.02     0.07   0.02   0.04
     4   6    -0.01  -0.08   0.02    -0.09  -0.11   0.00    -0.05  -0.07   0.00
     5   8     0.03  -0.00  -0.04     0.04   0.01  -0.04     0.02   0.01  -0.01
     6   6    -0.02   0.01   0.00     0.05   0.01  -0.02    -0.03  -0.01   0.04
     7   7     0.02  -0.00  -0.00    -0.00   0.01  -0.01    -0.02  -0.01  -0.04
     8   8    -0.02   0.04   0.04     0.01   0.03   0.02     0.00   0.02   0.01
     9   1     0.68   0.23  -0.20    -0.15  -0.02   0.04    -0.14   0.22  -0.02
    10   1    -0.12  -0.07  -0.24     0.51  -0.39   0.25    -0.16   0.68   0.32
    11   1     0.06   0.44   0.24     0.09   0.50   0.28     0.04   0.21   0.12
    12   1    -0.03  -0.06   0.03     0.02   0.08  -0.01     0.03   0.25   0.00
    13   1    -0.04   0.04  -0.03     0.01  -0.05   0.02     0.02  -0.26   0.08
    14   1     0.07   0.00  -0.02    -0.11  -0.06   0.05     0.03   0.17  -0.04
    15   1    -0.01   0.05  -0.02    -0.00  -0.18   0.04     0.02   0.13  -0.08
    16   1     0.04  -0.04   0.02    -0.06   0.08  -0.05    -0.01  -0.07   0.00
    17   1     0.11   0.01  -0.01    -0.12  -0.02  -0.01    -0.00   0.03   0.14
    18   1     0.09   0.02   0.15    -0.09   0.06  -0.08     0.04  -0.07  -0.05
    19   1    -0.01  -0.02  -0.13     0.03   0.05   0.09    -0.04  -0.07   0.11
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1386.0551              1410.8789              1425.0914
 Red. masses --      1.3274                 1.2548                 1.4555
 Frc consts  --      1.5025                 1.4717                 1.7415
 IR Inten    --      2.0184                 8.6047                 4.7568
 RamAct Fr= 1--      3.7830                 0.2376                 1.2810
  Dep-P Fr= 1--      0.7499                 0.5613                 0.6728
  Dep-U Fr= 1--      0.8571                 0.7190                 0.8044
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0018
 Beta2  Fr= 1--      0.5404                 0.0285                 0.1717
 AlphaG Fr= 1--      0.0003                -0.0017                 0.0075
 Gamma2 Fr= 1--      0.8870                 0.0585                 0.7056
 Delta2 Fr= 1--     -0.9204                -0.0154                -0.2530
 Raman1 Fr= 1--      15.132                  0.950                  5.124
 ROA1   Fr= 1--      55.700                  5.121                 59.646
 CID1   Fr= 1--       3.681                  5.388                 11.640
 Raman2 Fr= 1--       6.485                  0.342                  2.061
 ROA2   Fr= 1--      28.652                  1.527                 18.959
 CID2   Fr= 1--       4.418                  4.469                  9.199
 Raman3 Fr= 1--      12.970                  0.683                  4.122
 ROA3   Fr= 1--      55.700                  5.121                 59.646
 CID3   Fr= 1--       4.295                  7.493                 14.471
 RC180  Fr= 1--       0.714                  0.438                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.04    -0.03  -0.05  -0.09     0.03   0.02   0.05
     2   6    -0.04  -0.05  -0.09     0.00   0.03   0.03    -0.04   0.02  -0.03
     3   6    -0.09   0.01  -0.00     0.01  -0.02   0.00    -0.03  -0.09   0.09
     4   6     0.03   0.05   0.00     0.00   0.00   0.00     0.06   0.09  -0.01
     5   8    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.02  -0.02   0.01
     6   6     0.01   0.01   0.03     0.02  -0.10  -0.02     0.02  -0.04   0.00
     7   7     0.02   0.01   0.03    -0.00   0.00  -0.01    -0.01  -0.01  -0.05
     8   8    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     9   1     0.46  -0.35   0.09    -0.07   0.12  -0.05     0.20   0.60  -0.23
    10   1     0.41   0.17   0.46    -0.02  -0.10  -0.08     0.27  -0.09   0.17
    11   1    -0.02  -0.10  -0.06     0.00   0.00   0.00    -0.02  -0.16  -0.08
    12   1    -0.02  -0.18  -0.00     0.01   0.02  -0.01     0.00   0.27   0.06
    13   1    -0.02   0.17  -0.05    -0.00  -0.03   0.01    -0.05  -0.19   0.04
    14   1    -0.01   0.04   0.01    -0.14   0.34  -0.14    -0.13   0.11  -0.02
    15   1     0.03   0.01  -0.11     0.08   0.36   0.11     0.06   0.17   0.00
    16   1    -0.09  -0.02  -0.07    -0.13   0.34   0.15    -0.15   0.13  -0.02
    17   1    -0.00   0.01   0.23     0.13  -0.03   0.36    -0.13   0.01  -0.20
    18   1     0.07   0.07   0.05     0.18   0.26   0.28    -0.14  -0.10  -0.16
    19   1    -0.03   0.04   0.21    -0.05   0.23   0.30     0.04  -0.12  -0.15
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1432.8556              1487.9467              1495.9643
 Red. masses --      1.2624                 1.0481                 1.0471
 Frc consts  --      1.5270                 1.3672                 1.3807
 IR Inten    --      6.8940                 1.6835                 1.4103
 RamAct Fr= 1--      1.9465                 4.2143                 3.6822
  Dep-P Fr= 1--      0.6631                 0.7355                 0.7428
  Dep-U Fr= 1--      0.7974                 0.8476                 0.8524
 Alpha2 Fr= 1--      0.0030                 0.0010                 0.0004
 Beta2  Fr= 1--      0.2587                 0.5953                 0.5231
 AlphaG Fr= 1--      0.0008                -0.0039                -0.0054
 Gamma2 Fr= 1--     -0.1484                -0.1131                 0.1658
 Delta2 Fr= 1--      0.0716                -0.0812                 0.2642
 Raman1 Fr= 1--       7.786                 16.857                 14.729
 ROA1   Fr= 1--     -11.954                -13.456                 24.374
 CID1   Fr= 1--      -1.535                 -0.798                  1.655
 Raman2 Fr= 1--       3.104                  7.144                  6.278
 ROA2   Fr= 1--      -4.133                 -2.065                  1.866
 CID2   Fr= 1--      -1.331                 -0.289                  0.297
 Raman3 Fr= 1--       6.209                 14.288                 12.555
 ROA3   Fr= 1--     -11.954                -13.456                 24.374
 CID3   Fr= 1--      -1.925                 -0.942                  1.941
 RC180  Fr= 1--       0.595                  0.695                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07     0.03  -0.02   0.00    -0.00  -0.03   0.02
     2   6     0.00  -0.01  -0.01    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
     3   6    -0.01   0.05  -0.04    -0.00   0.00   0.01    -0.01   0.00   0.00
     4   6    -0.02  -0.04   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.09   0.00    -0.04  -0.00  -0.00     0.01   0.01  -0.03
     7   7     0.01   0.00   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.03  -0.35   0.12     0.03   0.02  -0.00     0.04  -0.02   0.00
    10   1    -0.04   0.06  -0.01     0.01  -0.01   0.02     0.00   0.09   0.05
    11   1     0.01   0.07   0.04    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    12   1    -0.01  -0.15  -0.01     0.00   0.02   0.01     0.00  -0.02  -0.02
    13   1     0.01   0.13  -0.03    -0.01  -0.02   0.00     0.01  -0.01   0.01
    14   1    -0.09   0.36  -0.15     0.42   0.17  -0.19    -0.40   0.08   0.06
    15   1     0.09   0.37   0.02    -0.06  -0.27  -0.11    -0.08   0.05   0.47
    16   1    -0.17   0.34   0.14     0.23   0.19   0.33     0.20  -0.25  -0.04
    17   1    -0.08   0.02  -0.30    -0.28  -0.04   0.27     0.21  -0.00   0.21
    18   1    -0.18  -0.19  -0.22    -0.28   0.39  -0.04    -0.33   0.14  -0.19
    19   1     0.06  -0.15  -0.29     0.09  -0.02  -0.27     0.17   0.36  -0.27
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6877              1514.3673              1671.1224
 Red. masses --      1.0555                 1.0457                 1.0879
 Frc consts  --      1.4117                 1.4129                 1.7901
 IR Inten    --      5.6662                14.4676                34.4839
 RamAct Fr= 1--      8.1737                 1.2739                 2.0329
  Dep-P Fr= 1--      0.6416                 0.6153                 0.6664
  Dep-U Fr= 1--      0.7817                 0.7618                 0.7998
 Alpha2 Fr= 1--      0.0160                 0.0031                 0.0030
 Beta2  Fr= 1--      1.0649                 0.1617                 0.2710
 AlphaG Fr= 1--     -0.0204                -0.0012                -0.0026
 Gamma2 Fr= 1--      0.5367                -0.1638                -0.2152
 Delta2 Fr= 1--      0.7976                 0.1551                 0.1384
 Raman1 Fr= 1--      32.695                  5.095                  8.131
 ROA1   Fr= 1--      77.049                -10.764                -16.231
 CID1   Fr= 1--       2.357                 -2.112                 -1.996
 Raman2 Fr= 1--      12.778                  1.941                  3.252
 ROA2   Fr= 1--       6.501                 -5.173                 -6.271
 CID2   Fr= 1--       0.509                 -2.665                 -1.929
 Raman3 Fr= 1--      25.557                  3.882                  6.503
 ROA3   Fr= 1--      77.049                -10.764                -16.231
 CID3   Fr= 1--       3.015                 -2.773                 -2.496
 RC180  Fr= 1--       0.563                  0.524                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
     2   6    -0.02   0.01  -0.03    -0.03  -0.00   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.01   0.01    -0.02  -0.01   0.01
     4   6     0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.02  -0.01  -0.04    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07   0.00
     8   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.01   0.00     0.00   0.04  -0.02     0.02   0.05  -0.01
    10   1     0.06   0.00   0.03     0.05  -0.02   0.07     0.02  -0.01   0.00
    11   1    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.14  -0.49  -0.46
    13   1     0.00   0.01  -0.00     0.02  -0.03   0.02     0.51  -0.43   0.27
    14   1    -0.03   0.32  -0.15     0.32   0.04  -0.10    -0.00  -0.00   0.00
    15   1    -0.14  -0.23   0.44    -0.00  -0.15  -0.21     0.00   0.01   0.00
    16   1     0.46  -0.05   0.32     0.02   0.18   0.15    -0.00  -0.00  -0.00
    17   1    -0.01   0.02  -0.24     0.59   0.05  -0.09    -0.05  -0.00  -0.02
    18   1     0.25  -0.23   0.09    -0.06  -0.33  -0.20     0.00   0.01   0.00
    19   1    -0.11  -0.18   0.24     0.08   0.47   0.06    -0.01  -0.04  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1801.9880              3033.1170              3033.8824
 Red. masses --      9.5575                 1.0779                 1.0377
 Frc consts  --     18.2852                 5.8427                 5.6274
 IR Inten    --    260.1820                 8.4301                21.9677
 RamAct Fr= 1--     10.8934               134.2682                85.7781
  Dep-P Fr= 1--      0.1734                 0.2381                 0.0289
  Dep-U Fr= 1--      0.2956                 0.3846                 0.0562
 Alpha2 Fr= 1--      0.1586                 1.6449                 1.7813
 Beta2  Fr= 1--      0.5366                 8.6071                 0.8031
 AlphaG Fr= 1--     -0.0388                -0.1948                -0.0471
 Gamma2 Fr= 1--     -0.3573                -7.8026                 3.1439
 Delta2 Fr= 1--      0.2061                -5.3566                 2.0620
 Raman1 Fr= 1--      43.574                537.073                343.112
 ROA1   Fr= 1--     -27.707               -920.462                367.799
 CID1   Fr= 1--      -0.636                 -1.714                  1.072
 Raman2 Fr= 1--       6.439                103.286                  9.637
 ROA2   Fr= 1--     -10.225               -144.410                 58.959
 CID2   Fr= 1--      -1.588                 -1.398                  6.118
 Raman3 Fr= 1--      12.878                206.571                 19.275
 ROA3   Fr= 1--     -27.707               -920.462                367.799
 CID3   Fr= 1--      -2.151                 -4.456                 19.082
 RC180  Fr= 1--      -0.409                 -0.231                 -0.888
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01  -0.00   0.02     0.01   0.00   0.02
     2   6     0.01  -0.01   0.01     0.05   0.03  -0.05    -0.01  -0.01   0.01
     3   6     0.02  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.31   0.26   0.58    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   8     0.02  -0.03  -0.05     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.04   0.00
     7   7    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   8     0.18  -0.19  -0.36     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.19   0.10  -0.09    -0.01  -0.04  -0.10     0.01   0.02   0.05
    10   1    -0.05   0.02  -0.05    -0.55  -0.39   0.60     0.14   0.10  -0.16
    11   1     0.06   0.41   0.23    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.02  -0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.04  -0.03   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.02   0.00  -0.00    -0.03  -0.05  -0.12    -0.12  -0.19  -0.47
    15   1    -0.00   0.00   0.01     0.14  -0.02   0.03     0.48  -0.08   0.09
    16   1     0.02   0.00   0.02     0.02   0.02  -0.03    -0.30  -0.25   0.38
    17   1    -0.01   0.00   0.01     0.01  -0.12   0.00     0.02  -0.18   0.00
    18   1    -0.05   0.02  -0.01     0.20   0.12  -0.22     0.12   0.08  -0.13
    19   1     0.01   0.00  -0.06    -0.13   0.03  -0.03    -0.22   0.06  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.0645              3070.1275              3093.8015
 Red. masses --      1.0385                 1.0852                 1.1021
 Frc consts  --      5.6510                 6.0266                 6.2151
 IR Inten    --     19.1473                12.6462                 0.9813
 RamAct Fr= 1--    221.4854                89.3828                10.8573
  Dep-P Fr= 1--      0.0277                 0.1327                 0.6760
  Dep-U Fr= 1--      0.0540                 0.2344                 0.8067
 Alpha2 Fr= 1--      4.6120                 1.4432                 0.0142
 Beta2  Fr= 1--      1.9922                 3.4915                 1.4597
 AlphaG Fr= 1--     -0.4428                 0.7212                 0.0028
 Gamma2 Fr= 1--     -0.4344                 8.8768                 0.5600
 Delta2 Fr= 1--     -0.5437                 5.8247                 0.0872
 Raman1 Fr= 1--     885.942                357.531                 43.429
 ROA1   Fr= 1--     -59.098               1038.567                 56.551
 CID1   Fr= 1--      -0.067                  2.905                  1.302
 Raman2 Fr= 1--      23.907                 41.898                 17.517
 ROA2   Fr= 1--      -6.075                166.447                 12.743
 CID2   Fr= 1--      -0.254                  3.973                  0.727
 Raman3 Fr= 1--      47.814                 83.796                 35.033
 ROA3   Fr= 1--     -59.098               1038.567                 56.551
 CID3   Fr= 1--      -1.236                 12.394                  1.614
 RC180  Fr= 1--      -0.892                 -0.531                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.04    -0.00   0.00   0.00    -0.07   0.01   0.02
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.08     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.02   0.01     0.00  -0.00   0.01     0.05   0.01  -0.02
     7   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.01     0.11   0.39   0.90    -0.00  -0.01  -0.02
    10   1    -0.15  -0.11   0.16    -0.06  -0.04   0.06     0.01   0.00  -0.01
    11   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    14   1    -0.07  -0.10  -0.25    -0.01  -0.02  -0.04     0.01  -0.01  -0.02
    15   1     0.24  -0.04   0.05    -0.04   0.01  -0.00    -0.42   0.08  -0.09
    16   1    -0.11  -0.09   0.14     0.05   0.04  -0.05    -0.22  -0.20   0.29
    17   1    -0.04   0.45  -0.00     0.00  -0.01  -0.00    -0.01  -0.12   0.00
    18   1    -0.32  -0.20   0.36     0.03   0.02  -0.03     0.29   0.19  -0.35
    19   1     0.51  -0.13   0.12     0.02  -0.01   0.01     0.57  -0.14   0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3097.0886              3099.9281              3107.1690
 Red. masses --      1.1018                 1.1008                 1.1009
 Frc consts  --      6.2265                 6.2323                 6.2624
 IR Inten    --     33.0354                52.3696                28.8106
 RamAct Fr= 1--     74.0452                86.6343                47.0303
  Dep-P Fr= 1--      0.7500                 0.6309                 0.5779
  Dep-U Fr= 1--      0.8571                 0.7737                 0.7325
 Alpha2 Fr= 1--      0.0000                 0.1874                 0.1520
 Beta2  Fr= 1--     10.5778                11.1714                 5.7417
 AlphaG Fr= 1--      0.0023                -0.1011                 0.2237
 Gamma2 Fr= 1--    -14.3643                 9.9584                 1.1356
 Delta2 Fr= 1--     -8.3235                 7.5222                -1.2585
 Raman1 Fr= 1--     296.181                346.537                188.121
 ROA1   Fr= 1--   -1645.327               1196.711                 68.746
 CID1   Fr= 1--      -5.555                  3.453                  0.365
 Raman2 Fr= 1--     126.934                134.057                 68.900
 ROA2   Fr= 1--    -278.156                178.823                 37.323
 CID2   Fr= 1--      -2.191                  1.334                  0.542
 Raman3 Fr= 1--     253.867                268.114                137.800
 ROA3   Fr= 1--   -1645.327               1196.711                 68.746
 CID3   Fr= 1--      -6.481                  4.463                  0.499
 RC180  Fr= 1--       0.714                  0.547                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.05   0.02   0.00    -0.01  -0.08   0.03
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.04  -0.00  -0.08    -0.06  -0.01   0.03    -0.01  -0.00   0.01
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.01   0.03   0.07    -0.01  -0.02  -0.04    -0.00  -0.00  -0.01
    10   1    -0.03  -0.02   0.03     0.11   0.08  -0.12     0.08   0.06  -0.09
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    14   1     0.18   0.30   0.70    -0.04  -0.04  -0.09    -0.02  -0.03  -0.06
    15   1     0.47  -0.09   0.07     0.47  -0.10   0.10     0.07  -0.01   0.02
    16   1    -0.20  -0.16   0.22     0.31   0.28  -0.40     0.08   0.07  -0.10
    17   1    -0.01   0.05   0.00     0.01  -0.28  -0.00    -0.07   0.81   0.01
    18   1     0.05   0.04  -0.06     0.14   0.10  -0.18     0.32   0.18  -0.37
    19   1     0.08  -0.02   0.02     0.46  -0.11   0.12    -0.12   0.01  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3489.2402              3558.4042              3711.1947
 Red. masses --      1.0491                 1.0922                 1.0639
 Frc consts  --      7.5257                 8.1482                 8.6336
 IR Inten    --      1.1706                 4.6949                51.5040
 RamAct Fr= 1--    117.9406                46.9788               142.1200
  Dep-P Fr= 1--      0.0899                 0.6579                 0.2291
  Dep-U Fr= 1--      0.1649                 0.7936                 0.3728
 Alpha2 Fr= 1--      2.1167                 0.0773                 1.7847
 Beta2  Fr= 1--      3.2411                 6.2141                 8.8300
 AlphaG Fr= 1--      0.2376                 0.0843                -0.0036
 Gamma2 Fr= 1--      0.6427                 0.1779                -1.4461
 Delta2 Fr= 1--     -0.5641                 1.8447                -1.0611
 Raman1 Fr= 1--     471.762                187.915                568.480
 ROA1   Fr= 1--      43.648                 76.108               -172.781
 CID1   Fr= 1--       0.093                  0.405                 -0.304
 Raman2 Fr= 1--      38.893                 74.569                105.961
 ROA2   Fr= 1--      19.937                -10.489                -26.218
 CID2   Fr= 1--       0.513                 -0.141                 -0.247
 Raman3 Fr= 1--      77.787                149.137                211.921
 ROA3   Fr= 1--      43.648                 76.108               -172.781
 CID3   Fr= 1--       0.561                  0.510                 -0.815
 RC180  Fr= 1--      -0.670                  0.587                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02   0.04
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.04  -0.01  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.00   0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.68   0.34  -0.64
    12   1    -0.54   0.16  -0.39     0.59  -0.18   0.38     0.00  -0.00   0.00
    13   1    -0.05   0.29   0.66    -0.09   0.28   0.62    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   757.782141010.508451267.05896
           X            0.99831  -0.04791   0.03290
           Y            0.04773   0.99884   0.00605
           Z           -0.03315  -0.00447   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11430     0.08571     0.06836
 Rotational constants (GHZ):           2.38161     1.78597     1.42435
 Zero-point vibrational energy     431688.5 (Joules/Mol)
                                  103.17602 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.05   132.62   254.84   318.29   351.98
          (Kelvin)            355.49   393.70   426.75   510.84   561.82
                              654.02   756.86   888.90   965.75  1062.19
                             1180.13  1215.33  1324.61  1350.89  1374.91
                             1401.90  1565.38  1616.50  1634.23  1652.79
                             1735.99  1788.88  1846.52  1904.99  1947.94
                             1994.22  2029.94  2050.39  2061.56  2140.82
                             2152.36  2167.79  2178.84  2404.37  2592.66
                             4363.98  4365.08  4372.54  4417.23  4451.29
                             4456.02  4460.11  4470.52  5020.24  5119.75
                             5339.58
 
 Zero-point correction=                           0.164421 (Hartree/Particle)
 Thermal correction to Energy=                    0.173888
 Thermal correction to Enthalpy=                  0.174833
 Thermal correction to Gibbs Free Energy=         0.130080
 Sum of electronic and zero-point Energies=           -402.405740
 Sum of electronic and thermal Energies=              -402.396273
 Sum of electronic and thermal Enthalpies=            -402.395329
 Sum of electronic and thermal Free Energies=         -402.440082
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.117             34.316             94.190
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.364
 Vibrational            107.339             28.355             25.638
 Vibration     1          0.594              1.981              5.311
 Vibration     2          0.602              1.955              3.613
 Vibration     3          0.628              1.871              2.358
 Vibration     4          0.648              1.809              1.949
 Vibration     5          0.660              1.772              1.769
 Vibration     6          0.661              1.768              1.751
 Vibration     7          0.676              1.722              1.573
 Vibration     8          0.690              1.680              1.436
 Vibration     9          0.731              1.565              1.144
 Vibration    10          0.758              1.491              0.998
 Vibration    11          0.813              1.351              0.782
 Vibration    12          0.881              1.192              0.596
 Vibration    13          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.147037D-59        -59.832572       -137.769589
 Total V=0       0.625139D+16         15.795977         36.371581
 Vib (Bot)       0.837470D-73        -73.077031       -168.266082
 Vib (Bot)    1  0.531157D+01          0.725223          1.669888
 Vib (Bot)    2  0.222968D+01          0.348243          0.801860
 Vib (Bot)    3  0.113506D+01          0.055020          0.126688
 Vib (Bot)    4  0.893680D+00         -0.048818         -0.112407
 Vib (Bot)    5  0.799801D+00         -0.097018         -0.223393
 Vib (Bot)    6  0.791003D+00         -0.101822         -0.234453
 Vib (Bot)    7  0.704950D+00         -0.151842         -0.349629
 Vib (Bot)    8  0.642395D+00         -0.192198         -0.442552
 Vib (Bot)    9  0.517933D+00         -0.285727         -0.657910
 Vib (Bot)   10  0.459609D+00         -0.337612         -0.777380
 Vib (Bot)   11  0.375850D+00         -0.424985         -0.978565
 Vib (Bot)   12  0.305139D+00         -0.515502         -1.186988
 Vib (Bot)   13  0.237252D+00         -0.624790         -1.438633
 Vib (V=0)       0.356056D+03          2.551518          5.875088
 Vib (V=0)    1  0.583506D+01          0.766045          1.763884
 Vib (V=0)    2  0.278506D+01          0.444834          1.024269
 Vib (V=0)    3  0.174031D+01          0.240626          0.554063
 Vib (V=0)    4  0.152404D+01          0.182997          0.421367
 Vib (V=0)    5  0.144323D+01          0.159335          0.366883
 Vib (V=0)    6  0.143578D+01          0.157088          0.361709
 Vib (V=0)    7  0.136427D+01          0.134899          0.310616
 Vib (V=0)    8  0.131405D+01          0.118611          0.273111
 Vib (V=0)    9  0.121990D+01          0.086324          0.198768
 Vib (V=0)   10  0.117915D+01          0.071568          0.164791
 Vib (V=0)   11  0.112551D+01          0.051350          0.118237
 Vib (V=0)   12  0.108576D+01          0.035732          0.082276
 Vib (V=0)   13  0.105343D+01          0.022607          0.052055
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.352603D+06          5.547286         12.773098
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 1111111                                     
     7     5 4        11000000                                         8   6  5544444333 2221110  9999 88  7  66  5  4 33222221      
     1     5 8        00997333                                         0   7  1098321852 8404328  7532 42  3  71  2  5 95974427  9 3 
     1     8 9        70740943                                         2   1  4768351644 3379648  4691 50  8  18  6  5 05747517  2 9 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXXXXXX  XXXX XX  X  XX  X  X XXXXXXXX  X X 
     X                XXX   X                                          X   X                XXX      X X   X   X             X       
     X                 XX                                              X   X                XXX      X X   X   X                     
     X                 X                                               X                    XXX      X X       X                     
                                                                       X                     XX      X X       X                     
                                                                       X                     X       X X       X                     
                                                                       X                     X       X                               
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004546   -0.000003305    0.000003751
      2        6           0.000000605    0.000003259   -0.000005464
      3        6          -0.000007992    0.000009056   -0.000013643
      4        6          -0.000001127   -0.000003068    0.000009449
      5        8           0.000001732   -0.000007233   -0.000008233
      6        6           0.000005715   -0.000000859    0.000004602
      7        7           0.000004557   -0.000013873    0.000003218
      8        8           0.000004035    0.000007379   -0.000008715
      9        1           0.000001721   -0.000000424    0.000005609
     10        1          -0.000004859   -0.000002689    0.000004653
     11        1           0.000002239    0.000000517   -0.000001485
     12        1          -0.000004999    0.000002769   -0.000002319
     13        1           0.000000048    0.000001534    0.000006365
     14        1           0.000002121   -0.000000477    0.000001113
     15        1           0.000002697   -0.000001628    0.000000880
     16        1           0.000002521    0.000003466   -0.000002068
     17        1          -0.000003605    0.000002314    0.000004097
     18        1          -0.000000056    0.000003540    0.000000360
     19        1          -0.000000808   -0.000000276   -0.000002172
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013873 RMS     0.000004839
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.816673D+02  0.746313D+00 -0.149208D+01
      2   0.746313D+00  0.834100D+02  0.162188D+01
      3  -0.149208D+01  0.162188D+01  0.744946D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.171412D+01 -0.329640D+01 -0.135533D+01
      2   0.149667D+02 -0.224424D+01  0.257805D+02
      3   0.121047D+02 -0.270756D+02  0.259907D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.755132D+02 -0.268754D+02  0.277011D+02
      2  -0.382578D+02  0.125543D+02 -0.232160D+02
      3  -0.372554D+02  0.143212D+02 -0.448514D+01
      4  -0.158737D+02  0.368640D+02  0.377154D+01
      5   0.192575D+02  0.329332D+01  0.416136D+02
      6   0.809245D+01 -0.157000D+02  0.924163D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.603297D+01  0.216068D+01 -0.369904D+01  0.258043D+01  0.959416D+00
      2   0.216068D+01  0.115219D+01  0.346042D-01  0.959416D+00 -0.632243D+01
      3  -0.369904D+01  0.346042D-01  0.195013D+01  0.250218D+00 -0.832810D+00
                 6             7             8             9            10 
      1   0.250218D+00 -0.265325D+01  0.115779D+00  0.245802D+01  0.561540D+01
      2  -0.832810D+00  0.115779D+00  0.979540D-01  0.321129D+01 -0.325219D+01
      3   0.281567D+01  0.245802D+01  0.321129D+01  0.730277D+00  0.311334D+01
                11            12            13            14            15 
      1  -0.325219D+01  0.311334D+01 -0.451187D+01 -0.207755D+01  0.727776D+00
      2  -0.123881D+01  0.156338D+00 -0.207755D+01  0.421150D+01  0.108074D+01
      3   0.156338D+00 -0.273166D+01  0.727776D+00  0.108074D+01 -0.394289D+01
                16            17            18            19            20 
      1   0.556909D+01  0.174298D+00 -0.333117D+01 -0.552258D+01  0.465240D+01
      2   0.174298D+00  0.101178D+01 -0.446322D+01  0.465240D+01  0.178090D+01
      3  -0.333117D+01 -0.446322D+01 -0.100574D+01 -0.214863D+01 -0.102208D+01
                21            22            23            24            25 
      1  -0.214863D+01  0.217389D+01  0.121559D+01  0.322194D-02 -0.313870D+01
      2  -0.102208D+01  0.121559D+01 -0.204231D+01  0.823919D+00 -0.138456D+01
      3   0.113639D+01  0.322194D-02  0.823919D+00  0.286931D+01  0.148502D+01
                26            27            28            29            30 
      1  -0.138456D+01  0.148502D+01  0.565462D-01 -0.231544D+01 -0.784984D-02
      2  -0.113436D+01  0.357139D+01 -0.231544D+01  0.589338D+00  0.130361D+01
      3   0.357139D+01  0.374273D+01 -0.784984D-02  0.130361D+01  0.881340D-01
                31            32            33            34            35 
      1  -0.200191D+01 -0.524996D+00  0.231306D+01 -0.231360D+01  0.189446D+01
      2  -0.524996D+00 -0.505508D+00  0.943144D+00  0.189446D+01  0.522240D+00
      3   0.231306D+01  0.943144D+00 -0.309185D+01  0.101570D+01 -0.231892D+01
                36            37            38            39            40 
      1   0.101570D+01  0.428299D+01  0.710764D+00 -0.279986D+01  0.277247D+00
      2  -0.231892D+01  0.710764D+00  0.177336D+01 -0.146651D+01  0.855839D+00
      3  -0.309696D+01 -0.279986D+01 -0.146651D+01  0.108660D+01 -0.184645D+01
                41            42            43            44            45 
      1   0.855839D+00 -0.184645D+01 -0.414097D+01 -0.290143D+01  0.529762D+00
      2  -0.350610D+01 -0.223838D+01 -0.290143D+01 -0.401557D+01 -0.265475D+00
      3  -0.223838D+01  0.433924D+00  0.529762D+00 -0.265475D+00 -0.262674D+01
                46            47            48            49            50 
      1  -0.562845D+01  0.300368D+01 -0.216205D+01  0.189033D+01  0.202938D+01
      2   0.300368D+01  0.168208D+01  0.454434D-01  0.202938D+01 -0.339275D+01
      3  -0.216205D+01  0.454434D-01  0.277713D+01 -0.186421D+00 -0.501245D+00
                51            52            53            54            55 
      1  -0.186421D+00 -0.232986D+01 -0.772003D-01  0.236593D+01  0.422604D+01
      2  -0.501245D+00 -0.772003D-01  0.499498D-01  0.444353D+01 -0.210068D+01
      3   0.371264D+01  0.236593D+01  0.444353D+01  0.311814D+01  0.247038D+01
                56            57            58            59            60 
      1  -0.210068D+01  0.247038D+01 -0.879364D+00  0.572245D+00 -0.416686D+00
      2   0.131360D+01 -0.128716D+00  0.572245D+00  0.409266D+01 -0.164570D+01
      3  -0.128716D+00  0.152726D+01 -0.416686D+00 -0.164570D+01 -0.119225D+01
                61            62            63            64            65 
      1   0.252058D+01 -0.438488D+00  0.165358D+01 -0.367591D+01  0.179126D+01
      2  -0.438488D+00 -0.193166D+01 -0.879358D+00  0.179126D+01 -0.172399D+01
      3   0.165358D+01 -0.879358D+00 -0.338829D+01  0.306407D+01 -0.743336D+00
                66            67            68            69            70 
      1   0.306407D+01  0.288637D+01 -0.124540D+01 -0.123199D+01  0.469838D+01
      2  -0.743336D+00 -0.124540D+01  0.373167D+01  0.167162D+01 -0.547821D+00
      3  -0.175624D+01 -0.123199D+01  0.167162D+01  0.255424D+01 -0.288683D+01
                71            72            73            74            75 
      1  -0.547821D+00 -0.288683D+01  0.312621D+00 -0.789576D+00 -0.983457D+00
      2   0.294690D+01  0.202348D+01 -0.789576D+00 -0.223852D+00 -0.338811D-01
      3   0.202348D+01  0.777867D+01 -0.983457D+00 -0.338811D-01 -0.601579D+00
                76            77            78            79            80 
      1  -0.112712D+01 -0.303882D+00 -0.192056D+00 -0.109698D+01  0.794486D-01
      2  -0.303882D+00 -0.867350D+00 -0.157267D+01  0.794486D-01 -0.174641D+01
      3  -0.192056D+00 -0.157267D+01 -0.197381D+01 -0.938463D+00 -0.158684D+01
                81            82            83            84            85 
      1  -0.938463D+00  0.308885D+01  0.150019D+01 -0.245253D+01  0.238113D+01
      2  -0.158684D+01  0.150019D+01  0.166432D+01 -0.673936D+00  0.164470D+01
      3  -0.739959D+01 -0.245253D+01 -0.673936D+00  0.254363D+01 -0.863745D+00
                86            87            88            89            90 
      1   0.164470D+01 -0.863745D+00 -0.345011D+01 -0.676614D+00  0.266995D+01
      2   0.136645D+01 -0.144256D+01 -0.676614D+00 -0.176416D+01  0.179751D+01
      3  -0.144256D+01  0.193963D+01  0.266995D+01  0.179751D+01 -0.386032D+01
                91            92            93            94            95 
      1  -0.495276D+01 -0.343346D+01  0.151897D+01 -0.220529D+01 -0.216594D+01
      2  -0.343346D+01 -0.351131D+01  0.110504D+01 -0.216594D+01 -0.345742D+01
      3   0.151897D+01  0.110504D+01 -0.142961D+01  0.766124D+00  0.829010D+00
                96            97            98            99           100 
      1   0.766124D+00  0.331906D+01  0.247031D+01 -0.197473D+01 -0.476450D+01
      2   0.829010D+00  0.247031D+01  0.289577D+01 -0.163953D+01  0.302891D+01
      3  -0.966583D+00 -0.197473D+01 -0.163953D+01  0.170546D+01 -0.275900D+01
               101           102           103           104           105 
      1   0.302891D+01 -0.275900D+01  0.199905D+01 -0.153484D+01  0.777720D+00
      2  -0.251113D+01  0.148485D+01 -0.153484D+01  0.212479D+01 -0.903465D+00
      3   0.148485D+01 -0.209179D+01  0.777720D+00 -0.903465D+00  0.766620D+00
               106           107           108           109           110 
      1  -0.351064D+01  0.144070D+01 -0.207464D+01  0.814910D-01  0.579944D+00
      2   0.144070D+01 -0.189129D+01  0.145158D+01  0.579944D+00 -0.357902D+00
      3  -0.207464D+01  0.145158D+01 -0.230739D+01  0.220210D+00 -0.520234D+00
               111           112           113           114           115 
      1   0.220210D+00  0.809635D+00 -0.356868D+00 -0.612212D+00  0.128237D+01
      2  -0.520234D+00 -0.356868D+00  0.259537D+01  0.107627D+01 -0.582464D+00
      3   0.118740D+00 -0.612212D+00  0.107627D+01  0.190103D+01 -0.431442D-01
               116           117           118           119           120 
      1  -0.582464D+00 -0.431442D-01 -0.187354D-01 -0.800178D+00 -0.726816D+00
      2   0.306553D+01  0.166513D+01 -0.800178D+00 -0.943997D+00 -0.503079D+00
      3   0.166513D+01  0.367946D+01 -0.726816D+00 -0.503079D+00 -0.114702D+01
               121           122           123           124           125 
      1  -0.678739D+00 -0.295330D+00 -0.114176D+00 -0.120150D+01  0.111290D+00
      2  -0.295330D+00 -0.230038D+01 -0.194200D+01  0.111290D+00 -0.338230D+01
      3  -0.114176D+00 -0.194200D+01 -0.240312D+01 -0.557697D+00 -0.341006D+01
               126           127           128           129           130 
      1  -0.557697D+00  0.906556D+01 -0.343075D+01  0.870771D+00 -0.159660D+01
      2  -0.341006D+01 -0.343075D+01  0.272088D+01 -0.131971D+00  0.154099D+01
      3  -0.633643D+01  0.870771D+00 -0.131971D+00  0.108327D+01 -0.101359D+00
               131           132           133           134           135 
      1   0.154099D+01 -0.101359D+00  0.121016D+01 -0.459056D+00  0.934206D+00
      2  -0.111763D+01  0.207590D+00 -0.459056D+00  0.577157D+00 -0.884047D+00
      3   0.207590D+00 -0.484193D+00  0.934206D+00 -0.884047D+00  0.160547D+00
               136           137           138           139           140 
      1  -0.361533D+01 -0.737205D+00  0.141711D+01 -0.755608D+00 -0.987173D+00
      2  -0.737205D+00 -0.215377D+01  0.738366D+00 -0.987173D+00 -0.277429D+01
      3   0.141711D+01  0.738366D+00 -0.172414D+01  0.477286D+00  0.137130D+01
               141           142           143           144           145 
      1   0.477286D+00  0.173787D+01  0.464619D+00 -0.119852D+01  0.540111D+00
      2   0.137130D+01  0.464619D+00  0.278370D+01 -0.209782D+01  0.799596D+00
      3  -0.169687D+01 -0.119852D+01 -0.209782D+01  0.258728D+01  0.381291D+00
               146           147           148           149           150 
      1   0.799596D+00  0.381291D+00  0.139879D+01  0.295130D+00  0.512251D+00
      2  -0.172842D+00 -0.302337D-01  0.295130D+00  0.855085D+01  0.156627D+01
      3  -0.302337D-01 -0.367884D+00  0.512251D+00  0.156627D+01  0.174295D+01
               151           152           153           154           155 
      1   0.113998D+00  0.535546D-01 -0.318657D+00 -0.206681D+01 -0.711762D+00
      2   0.535546D-01  0.590896D+00  0.709254D+00 -0.711762D+00 -0.110947D+01
      3  -0.318657D+00  0.709254D+00  0.296644D+00  0.130951D+01  0.407602D+00
               156           157           158           159           160 
      1   0.130951D+01 -0.112841D+01 -0.644459D+00  0.286830D+00  0.149108D+01
      2   0.407602D+00 -0.644459D+00 -0.499999D+00  0.104862D+01  0.385600D+00
      3  -0.276285D+01  0.286830D+00  0.104862D+01 -0.210555D+01 -0.135518D+01
               161           162           163           164           165 
      1   0.385600D+00 -0.135518D+01  0.900842D+01 -0.656165D+00  0.337357D+01
      2   0.110423D+01 -0.929914D+00 -0.656165D+00  0.127042D+01 -0.218755D-01
      3  -0.929914D+00  0.480811D+01  0.337357D+01 -0.218755D-01  0.230150D+01
               166           167           168           169           170 
      1  -0.151197D+01  0.102314D+01 -0.549384D+00  0.189302D+01 -0.122436D+00
      2   0.102314D+01  0.112874D+00  0.460332D+00 -0.122436D+00  0.219648D+00
      3  -0.549384D+00  0.460332D+00 -0.878881D+00  0.156687D+01 -0.397987D+00
               171 
      1   0.156687D+01
      2  -0.397987D+00
      3   0.141414D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.590419D+01  0.154058D+01 -0.115213D+01  0.286482D+00 -0.102382D+02
      2   0.264374D+00 -0.222517D+01  0.127459D+02 -0.239705D+01 -0.307193D+01
      3  -0.853001D+01 -0.292574D+01 -0.329936D+01  0.172094D+01  0.124051D+02
                 6             7             8             9            10 
      1  -0.677064D+01 -0.141331D+01 -0.812635D+00  0.351925D+01  0.132751D+01
      2   0.525116D+01  0.717681D+01  0.626136D+01 -0.185016D+01  0.107488D+02
      3   0.167936D+01 -0.222857D+01 -0.287596D+00 -0.419357D+01  0.492512D+01
                11            12            13            14            15 
      1  -0.104341D+00 -0.379040D+00 -0.141500D+01 -0.944464D+00 -0.342986D+01
      2  -0.340890D-02  0.113291D+00 -0.331742D+01  0.814973D+00 -0.410842D+01
      3  -0.674558D+00 -0.196779D+01  0.581494D+01 -0.739373D+01  0.748498D+00
                16            17            18            19            20 
      1  -0.604329D+00  0.302269D+01  0.126411D+01 -0.312360D+01 -0.270310D+01
      2  -0.367595D+01 -0.446469D+01 -0.340195D+01 -0.582258D+01  0.954142D+00
      3   0.270007D+01  0.543440D+00  0.508902D+01 -0.438701D+00 -0.161434D+01
                21            22            23            24            25 
      1  -0.682011D+00 -0.109924D+01  0.442678D+01 -0.257780D+01  0.323601D+00
      2   0.107680D+01  0.119139D+01 -0.875512D+00  0.208591D+01 -0.977903D+01
      3   0.167702D+01  0.270599D+01 -0.150436D+01  0.156196D+01 -0.179451D+01
                26            27            28            29            30 
      1   0.337403D+01 -0.485487D+01  0.110534D+01  0.512193D+01  0.239171D+01
      2  -0.154295D+00 -0.137552D+00 -0.997238D+01 -0.338465D+01  0.219394D+01
      3   0.660279D+00  0.744273D+00 -0.862489D+01 -0.406428D+01  0.615503D+00
                31            32            33            34            35 
      1   0.246020D+01 -0.600432D+01 -0.122445D+01  0.125532D+01  0.522427D+00
      2   0.209581D+01  0.223388D+01 -0.124649D+01 -0.476720D+01 -0.176544D+01
      3   0.199019D+01  0.508057D+01 -0.508628D+01 -0.559252D+01 -0.114056D+02
                36            37            38            39            40 
      1   0.425030D+01 -0.348702D+01 -0.782733D+00  0.203401D-01 -0.534707D+00
      2   0.117888D+02  0.472203D+01  0.366301D+01 -0.207091D+00 -0.772620D+00
      3  -0.210039D+00 -0.398141D+01  0.101306D+01  0.758235D+00  0.599699D+01
                41            42            43            44            45 
      1   0.152701D+00 -0.481273D+01  0.337879D+01  0.399977D+01 -0.504181D+01
      2   0.307472D+01  0.858110D+00 -0.451301D+01  0.732064D+00  0.511592D+01
      3  -0.679432D+01 -0.187622D+01  0.212090D+01 -0.113912D+01 -0.295786D+01
                46            47            48            49            50 
      1  -0.532995D+01 -0.757623D+00  0.528515D+01 -0.107024D+01  0.109302D+01
      2  -0.638293D+01  0.716969D+00  0.564685D+01  0.189356D+00  0.114126D+00
      3   0.409117D+01 -0.127997D+02  0.381531D+01 -0.586510D+01  0.268761D+01
                51            52            53            54            55 
      1   0.578861D+01  0.324730D+01  0.118300D+02  0.475866D+01 -0.360578D+01
      2   0.609743D+01  0.127646D+01  0.766854D+01  0.581061D+01  0.530190D+01
      3   0.987069D+00  0.414362D+01  0.227965D+00 -0.124445D+02  0.921498D+01
                56            57            58            59            60 
      1   0.274754D+00 -0.499570D+01 -0.367523D-01 -0.227303D+01  0.322891D+00
      2  -0.138880D+01  0.501490D+01  0.226442D+00  0.188649D+01 -0.317580D+00
      3  -0.102100D+02  0.639175D+01  0.204374D+01  0.313369D+01 -0.988008D+00
                61            62            63            64            65 
      1  -0.481600D+01  0.972479D+01  0.964152D+01  0.447871D+00 -0.403007D+01
      2   0.130922D+00  0.832365D+00  0.196244D+01  0.294739D-01  0.210481D+01
      3   0.378477D+01 -0.146847D+01  0.417848D+01  0.338541D+01 -0.546479D+01
                66            67            68            69            70 
      1   0.324781D+00 -0.809581D+00  0.355247D+01 -0.162239D+01 -0.336343D+00
      2   0.504245D+01  0.303744D+00 -0.440334D+01 -0.226200D+01 -0.227387D+01
      3  -0.128465D+01  0.182844D+01  0.498564D+01  0.430325D+01  0.481676D+01
                71            72            73            74            75 
      1   0.719473D+01 -0.113139D+00  0.120809D+01  0.535822D+00  0.382821D+00
      2  -0.286025D+01 -0.140509D+02 -0.452692D-01 -0.565047D+00 -0.599554D-01
      3   0.866292D+01  0.252357D+01  0.314357D-01 -0.123778D+01 -0.808775D+00
                76            77            78            79            80 
      1   0.283782D+00  0.217389D+01  0.107068D+01 -0.970251D-01  0.497464D+01
      2  -0.163003D+01 -0.138360D+00 -0.136906D+00 -0.308030D+01  0.376822D+00
      3   0.138094D+01 -0.400009D+00 -0.719434D+00  0.504358D+00 -0.515592D+00
                81            82            83            84            85 
      1   0.292517D+01 -0.596321D+00 -0.165399D+01 -0.320950D+00 -0.386935D+00
      2  -0.619225D-01 -0.112565D+01 -0.104461D+00  0.396330D+01  0.162177D+01
      3  -0.103312D+01 -0.139848D+01 -0.402134D+01  0.676556D+00  0.516367D+00
                86            87            88            89            90 
      1  -0.914469D+00 -0.885530D+00 -0.107246D+00  0.250639D+01 -0.113362D+00
      2  -0.956136D+00  0.285055D+01 -0.124658D+01  0.224939D+01 -0.433039D+01
      3  -0.229311D+01  0.170913D+01 -0.118679D+01  0.313228D+01 -0.179630D+01
                91            92            93            94            95 
      1   0.321691D+01  0.193743D+01 -0.305844D+01  0.237171D+01  0.240105D+01
      2  -0.284018D+01 -0.285146D+01  0.353505D+01 -0.179488D+01 -0.254947D+01
      3   0.172390D+01 -0.249036D+01 -0.687890D+00  0.104465D+01 -0.243696D+01
                96            97            98            99           100 
      1  -0.213652D+01 -0.296444D+01 -0.153659D+01  0.322756D+01  0.306470D+01
      2   0.251153D+01  0.285867D+01  0.304692D+01 -0.443969D+01 -0.541120D+01
      3   0.334630D+00 -0.991037D+00  0.274537D+01 -0.360889D+00 -0.105556D+02
               101           102           103           104           105 
      1   0.670421D-01  0.397839D+01 -0.260629D+00 -0.369687D+00 -0.139776D+01
      2   0.227784D+01 -0.454015D+00  0.191835D+01 -0.132691D+01  0.171299D+00
      3   0.404527D+01 -0.589566D+01  0.529614D+01 -0.217496D+01  0.149838D+01
               106           107           108           109           110 
      1   0.299439D+01 -0.101595D+00  0.281388D+01 -0.138545D+01  0.130704D+01
      2  -0.403099D+01  0.947108D+00 -0.917404D+00 -0.826789D-01  0.476866D+00
      3  -0.808369D+01  0.201241D+01 -0.407870D+01  0.381995D+00 -0.199999D+00
               111           112           113           114           115 
      1   0.574861D+00  0.177084D+01 -0.514142D+01 -0.611568D+01  0.988963D+00
      2  -0.392703D-01  0.499671D+00 -0.972251D+00 -0.119740D+01 -0.137968D+01
      3   0.109324D+01  0.185944D+01 -0.430695D+00 -0.760833D+00  0.431523D+01
               116           117           118           119           120 
      1  -0.544780D+01 -0.129140D+02 -0.662352D+00  0.296239D+00 -0.238924D+01
      2  -0.122027D+01 -0.143335D+01 -0.165391D+01 -0.101984D+01 -0.147907D+01
      3  -0.571867D-01  0.112380D+00  0.230960D+01  0.215910D+01  0.191844D+01
               121           122           123           124           125 
      1  -0.521741D-01 -0.164806D+01 -0.509428D+01 -0.164036D+01 -0.142031D+01
      2  -0.119740D+01 -0.328917D+01 -0.387055D+01 -0.419725D+01 -0.491210D+01
      3   0.338979D+01  0.421232D+01  0.374127D+01  0.317421D+01  0.530598D+01
               126           127           128           129           130 
      1  -0.106212D+02  0.300486D+01 -0.885951D+00  0.287327D+01 -0.958223D+00
      2  -0.100652D+02  0.460471D+01 -0.123353D+01  0.499981D+01 -0.605419D+00
      3   0.731594D+01 -0.107481D+02 -0.239553D+01 -0.156505D+01  0.204287D+01
               131           132           133           134           135 
      1   0.804709D+00 -0.195038D+01  0.147066D+01 -0.660703D+00  0.846601D+00
      2   0.116078D+01 -0.143583D+01  0.112334D+01 -0.162069D+01  0.101100D+01
      3  -0.392524D+00 -0.315105D+00 -0.170718D+01 -0.833845D+00  0.486719D+00
               136           137           138           139           140 
      1   0.364371D+01  0.118733D+01 -0.440462D+01  0.144556D+01  0.313899D+01
      2   0.290952D+01  0.944787D+00 -0.162397D+01  0.124707D+01  0.205930D+01
      3   0.119653D+02  0.389680D+01 -0.454250D+01  0.517509D+01  0.633593D+01
               141           142           143           144           145 
      1  -0.526352D+01 -0.279260D+01 -0.255550D+01  0.619838D+01  0.787659D+00
      2  -0.221223D+01 -0.372050D+01 -0.315904D+01  0.340204D+01  0.105779D+01
      3  -0.389546D+01 -0.564056D+01 -0.511995D+01  0.631706D+01 -0.129495D+01
               146           147           148           149           150 
      1  -0.984221D+00  0.795445D+00 -0.118845D+01  0.114523D+02 -0.277301D+01
      2  -0.954330D+00 -0.521712D+00 -0.170786D+01  0.342467D+01  0.264340D+01
      3   0.665761D+00 -0.107103D-01  0.420910D+01 -0.156907D+02 -0.152315D+01
               151           152           153           154           155 
      1   0.846697D+00  0.989891D+00  0.712596D+00 -0.221371D+01 -0.302188D+01
      2  -0.180379D+01  0.120498D+01  0.580494D+00  0.890625D+01  0.224165D+01
      3  -0.127405D+00 -0.597792D+00 -0.191150D+01  0.308975D+00  0.376767D+00
               156           157           158           159           160 
      1   0.199278D+01 -0.122929D+01 -0.192608D+01  0.153336D+01  0.196455D+01
      2  -0.587293D+01  0.306073D+01  0.291590D+01 -0.392878D+01 -0.742129D+01
      3   0.425334D+00  0.151001D+01  0.105019D+00 -0.138457D+01  0.219734D+00
               161           162           163           164           165 
      1   0.445178D+01 -0.445112D+01 -0.330665D+01  0.265576D+01 -0.123742D+01
      2  -0.279374D+01  0.104400D+02 -0.595400D+01  0.116235D+01  0.317403D+01
      3  -0.857125D+00  0.385984D+00  0.686241D+01 -0.576780D+01  0.188032D+01
               166           167           168           169           170 
      1   0.116856D+01 -0.547931D+00  0.906813D-01 -0.132682D+01  0.165352D+01
      2   0.106834D+01 -0.101759D+00 -0.175320D+01 -0.151417D+01 -0.738984D+00
      3  -0.182313D+01  0.935456D+00 -0.760142D+00  0.157262D+01 -0.100841D+01
               171 
      1  -0.123786D+01
      2   0.132291D+01
      3   0.183308D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.272245D+02  0.954220D+01 -0.233675D+02  0.116389D+02  0.111819D+02
      2   0.231355D+02 -0.340083D+01  0.487599D+01 -0.587294D+01 -0.168142D+02
      3   0.408903D+01 -0.614137D+01  0.184915D+02 -0.576596D+01  0.563239D+01
      4   0.391058D+01  0.558145D+01 -0.136759D+01  0.490237D+01 -0.200335D+02
      5  -0.241822D+02  0.498941D+01 -0.333303D+01  0.678513D+01 -0.859136D+00
      6   0.228601D+01  0.287640D+01 -0.162015D+00  0.171995D+01 -0.106616D+02
                 6             7             8             9            10 
      1  -0.211226D+01 -0.179496D+02 -0.312081D+01  0.610060D+01  0.787712D+01
      2  -0.841481D+01  0.358631D+01 -0.635345D+01 -0.159706D+01 -0.297248D+01
      3   0.105271D+02  0.143633D+02  0.947427D+01 -0.450354D+01 -0.490464D+01
      4  -0.203862D+01 -0.503720D+00  0.661055D+00  0.116584D+02 -0.117630D+02
      5   0.740847D+01 -0.278487D+00  0.887603D+01  0.812661D+01  0.159722D+02
      6   0.118721D+01  0.167332D+01  0.917168D+00  0.833713D+01  0.552787D+01
                11            12            13            14            15 
      1  -0.120361D+02  0.130194D+02 -0.929593D+01 -0.209432D+01  0.297467D+01
      2   0.114145D+02 -0.749936D+01  0.104527D+02 -0.460961D+01 -0.111208D+01
      3   0.621609D+00 -0.552008D+01 -0.115680D+01  0.670393D+01 -0.186259D+01
      4  -0.249980D+01  0.217758D+01 -0.582499D+01  0.117839D+02  0.445444D+01
      5   0.261515D+01 -0.101303D+02  0.956784D-01  0.714427D+01 -0.123983D+02
      6  -0.878420D+00 -0.780405D+00  0.152625D+01 -0.257501D+01 -0.200999D+01
                16            17            18            19            20 
      1   0.105377D+02  0.127022D+01 -0.115193D+02 -0.108813D+02 -0.643109D+01
      2  -0.673939D+01 -0.226815D+01  0.901812D+01  0.829897D+01  0.784121D+01
      3  -0.379833D+01  0.997933D+00  0.250116D+01  0.258233D+01 -0.141012D+01
      4  -0.973216D+00 -0.252307D+00 -0.129083D+02  0.115943D+01 -0.198085D+01
      5  -0.119202D+02 -0.133021D+02  0.506488D+00 -0.593336D+01 -0.582333D+00
      6  -0.295630D+01  0.973433D-01  0.764612D+00 -0.733578D+01 -0.508566D+01
                21            22            23            24            25 
      1   0.376297D+01  0.293648D+01  0.951975D+01  0.225225D+01  0.340161D+00
      2   0.120366D+01 -0.750844D+00 -0.114336D+02  0.639278D+01  0.131652D+01
      3  -0.496663D+01 -0.218563D+01  0.191383D+01 -0.864503D+01 -0.165668D+01
      4  -0.209330D+00 -0.796362D+01 -0.192003D+01  0.165191D+01  0.458171D+01
      5   0.591242D+00  0.461963D+01 -0.105107D+01  0.602959D+00  0.229765D+01
      6   0.248523D+01  0.189997D+01  0.911389D+01 -0.715115D+01  0.277668D-01
                26            27            28            29            30 
      1   0.705558D+01  0.708753D+01 -0.663393D+00  0.264193D+01 -0.134360D+01
      2   0.340561D+01  0.104393D+02  0.129866D+01 -0.413735D+01 -0.684950D+01
      3  -0.104612D+02 -0.175269D+02 -0.635270D+00  0.149542D+01  0.819310D+01
      4   0.113866D+01 -0.144914D+01  0.369059D+01 -0.258168D+01 -0.750583D+01
      5  -0.134915D+01 -0.496110D+01  0.616629D+01 -0.686209D+01 -0.404554D+01
      6   0.194233D+01 -0.567297D+01 -0.307397D+01 -0.663602D+00  0.106818D+01
                31            32            33            34            35 
      1   0.568663D+01  0.446905D+01 -0.654952D+01  0.965888D+01 -0.459882D+01
      2  -0.637142D+01 -0.957583D+01  0.977336D+01 -0.929052D+01 -0.128755D+01
      3   0.684782D+00  0.510678D+01 -0.322383D+01 -0.368360D+00  0.588637D+01
      4  -0.521864D+01 -0.217656D+01 -0.419184D+01 -0.116543D+02  0.486212D+01
      5  -0.174939D+02 -0.373968D+01  0.445197D+01 -0.109161D+02  0.426996D+01
      6  -0.432781D+01 -0.739436D+01 -0.120281D+01 -0.360728D+00 -0.296815D+01
                36            37            38            39            40 
      1  -0.667210D+00 -0.200246D+01 -0.439663D+00  0.823214D+01 -0.259282D+01
      2   0.871312D+01  0.177191D+00 -0.143992D+01 -0.206908D+01  0.184851D+01
      3  -0.804591D+01  0.182527D+01  0.187959D+01 -0.616306D+01  0.744314D+00
      4   0.582213D+01 -0.107455D+02 -0.120965D+01  0.118242D+02  0.617770D+01
      5   0.189448D+02  0.118363D+02  0.783156D+01  0.201218D+01  0.106255D+02
      6  -0.334678D+01  0.850680D+01  0.695223D+01 -0.158323D+01  0.665439D+01
                41            42            43            44            45 
      1  -0.149451D+02  0.333212D+01  0.120332D+02  0.572504D+01 -0.476771D+01
      2   0.248696D+02  0.510042D+00 -0.205291D+01  0.340179D+01 -0.460802D+00
      3  -0.992451D+01 -0.384216D+01 -0.998034D+01 -0.912684D+01  0.522852D+01
      4   0.112510D+02  0.974448D+01  0.189544D+02  0.163235D+02 -0.965262D+00
      5   0.104603D+02  0.275757D+01  0.260302D+01  0.265904D+01  0.109442D+02
      6   0.894615D+01  0.643614D+01 -0.152587D+01  0.659360D+01  0.869857D+01
                46            47            48            49            50 
      1  -0.267800D+02  0.211568D+02 -0.863080D+01  0.141148D+02  0.822834D+00
      2   0.692199D+01 -0.150688D+02  0.745119D+01 -0.121295D+02  0.109103D+02
      3   0.198580D+02 -0.608794D+01  0.117961D+01 -0.198534D+01 -0.117332D+02
      4   0.240736D+02 -0.563046D+01  0.673115D+01 -0.179555D+01 -0.144449D+02
      5  -0.554346D+01  0.647413D+00  0.851975D+01  0.224717D+00 -0.387900D+01
      6   0.565402D+01  0.166270D+01 -0.110059D+02  0.132921D+00  0.312715D+01
                51            52            53            54            55 
      1   0.120794D+01 -0.988102D+01  0.256352D+01  0.211673D+02  0.851933D+01
      2   0.477335D+01  0.723404D+01  0.463185D+01 -0.142280D+02 -0.389621D+01
      3  -0.598129D+01  0.264698D+01 -0.719537D+01 -0.693926D+01 -0.462312D+01
      4  -0.979112D+00  0.698530D+01  0.133521D+01  0.410246D+01  0.147594D+02
      5   0.100468D+02  0.773151D+01  0.112655D+02  0.856272D+01 -0.975007D+01
      6  -0.141070D+02 -0.781600D+01 -0.164238D+02 -0.115302D+02  0.120815D+02
                56            57            58            59            60 
      1   0.237650D+01 -0.357359D+01 -0.139457D+01 -0.190506D+02  0.579955D+01
      2   0.562239D+00  0.484793D+01  0.399072D+01  0.298574D+02 -0.104382D+02
      3  -0.293874D+01 -0.127435D+01 -0.259615D+01 -0.108068D+02  0.463864D+01
      4  -0.507998D+01  0.897520D+01  0.243225D+01  0.534371D+01 -0.137112D+01
      5   0.556708D+01 -0.407028D+01  0.175342D+01 -0.160177D+01  0.955610D+00
      6  -0.237941D+01  0.669039D+01 -0.368055D+01 -0.160671D+02  0.330344D+01
                61            62            63            64            65 
      1  -0.406178D+00  0.797412D+01 -0.603269D+01  0.224561D+02 -0.345335D+01
      2   0.433744D+01 -0.109548D+02 -0.910868D+01 -0.163675D+02  0.186964D+01
      3  -0.393126D+01  0.298072D+01  0.151414D+02 -0.608857D+01  0.158372D+01
      4   0.717535D+01  0.123384D+01  0.846961D+01 -0.871832D+01  0.125312D+02
      5  -0.176670D+01  0.355340D+01 -0.361934D+01 -0.169822D+02  0.631819D+01
      6   0.840749D+01  0.388120D+00 -0.143565D+02  0.329666D+01 -0.210255D+01
                66            67            68            69            70 
      1  -0.897342D+01 -0.784249D+01 -0.208126D+01  0.155430D+01 -0.111573D+02
      2   0.109395D+02  0.518247D+01  0.349679D+01 -0.568684D+01  0.109539D+02
      3  -0.196612D+01  0.266003D+01 -0.141553D+01  0.413253D+01  0.203383D+00
      4   0.548679D+01  0.114992D+02 -0.120395D+02 -0.743917D+01  0.640166D+01
      5   0.164720D+02  0.918189D+01 -0.726593D+01 -0.791563D+01  0.217078D+02
      6  -0.328885D+01 -0.349536D+01  0.438373D+01  0.987290D+01 -0.189652D+01
                71            72            73            74            75 
      1  -0.200985D+01 -0.345550D+01  0.710067D+00  0.610679D+00 -0.250872D+00
      2  -0.116175D+01 -0.222623D+02 -0.444455D+01 -0.100538D+01 -0.203340D+01
      3   0.317160D+01  0.257178D+02  0.373448D+01  0.394700D+00  0.228427D+01
      4  -0.120508D+02 -0.932770D+01  0.165598D+00  0.200406D+01  0.417426D+00
      5  -0.711299D+01 -0.303281D+02  0.235791D+01  0.136001D+01  0.670951D+01
      6   0.873988D+01  0.714220D+01  0.142225D+01  0.234626D+00  0.310167D+00
                76            77            78            79            80 
      1   0.309008D+00 -0.439194D+01 -0.466836D+01 -0.108831D+01 -0.275392D+01
      2  -0.850978D+00 -0.682330D+00 -0.362752D+01 -0.165276D+01 -0.451867D+01
      3   0.541970D+00  0.507427D+01  0.829588D+01  0.274107D+01  0.727259D+01
      4   0.215937D+01  0.341679D+00  0.423110D+00  0.137465D+00  0.850215D+00
      5   0.442360D+00  0.709200D+00  0.183549D+01  0.530701D+01  0.114132D+01
      6   0.421243D+00  0.354861D+01  0.714892D+01 -0.606014D-01  0.617991D+01
                81            82            83            84            85 
      1  -0.173553D+02  0.168390D+02  0.618062D+01 -0.963147D+01  0.602710D+01
      2  -0.167565D+02 -0.113802D+02 -0.446529D+01  0.747924D+01 -0.354477D+01
      3   0.341119D+02 -0.545875D+01 -0.171532D+01  0.215223D+01 -0.248233D+01
      4   0.322860D+00  0.925731D+01  0.865897D+01 -0.466485D+01  0.932622D+01
      5   0.577617D+01 -0.157166D+02 -0.505080D+01  0.149105D+02 -0.552111D+01
      6   0.370381D+01 -0.364753D+01 -0.255820D+01  0.309299D+01 -0.375929D+01
                86            87            88            89            90 
      1   0.263147D+01 -0.218162D+01 -0.818759D+01 -0.155822D+01  0.452458D+01
      2   0.414331D-01  0.131137D+01  0.847876D+01  0.327471D+01 -0.113596D+02
      3  -0.267290D+01  0.870248D+00 -0.291175D+00 -0.171649D+01  0.683505D+01
      4   0.710034D+01 -0.646610D+01 -0.421962D+01 -0.601481D+01  0.713837D+01
      5  -0.677139D+01  0.808985D+01  0.157206D+02  0.756398D+01 -0.187469D+02
      6  -0.454200D+01  0.619694D+01  0.345341D+01  0.538478D+01 -0.601861D+01
                91            92            93            94            95 
      1   0.201627D+02  0.108283D+02 -0.632333D+01  0.405309D+01  0.237981D+01
      2  -0.547595D+01 -0.360108D+00  0.186408D+01  0.271730D+01  0.637550D+01
      3  -0.146867D+02 -0.104682D+02  0.445925D+01 -0.677039D+01 -0.875531D+01
      4   0.224333D+02  0.188431D+02 -0.710646D+01  0.136089D+02  0.157883D+02
      5  -0.769221D+01 -0.498028D+01  0.653995D+01 -0.277703D+01 -0.323350D+01
      6  -0.524484D+01 -0.347071D+01  0.368314D+01 -0.278768D+01 -0.385832D+01
                96            97            98            99           100 
      1  -0.545367D+00 -0.958952D+01 -0.482728D+01  0.355253D+01  0.321695D+01
      2  -0.166751D+01  0.257476D+01 -0.152360D+01 -0.919479D+00 -0.133983D+00
      3   0.221288D+01  0.701476D+01  0.635088D+01 -0.263305D+01 -0.308297D+01
      4  -0.485777D+01 -0.150855D+02 -0.140933D+02  0.940615D+01 -0.202011D+02
      5   0.323214D+01  0.954913D+01  0.732183D+01 -0.766777D+01  0.144493D+02
      6   0.373928D+01  0.702891D+01  0.727967D+01 -0.679030D+01 -0.142522D+02
               101           102           103           104           105 
      1   0.182535D+01 -0.141668D+00  0.787307D+00 -0.322945D+01  0.157650D+01
      2  -0.517390D+01 -0.135895D+01 -0.389843D+01  0.702790D+01 -0.247538D+01
      3   0.334855D+01  0.150062D+01  0.311112D+01 -0.379845D+01  0.898882D+00
      4   0.159391D+02 -0.119357D+02  0.121985D+02 -0.785355D+01  0.415740D+01
      5  -0.878901D+01  0.113853D+02 -0.498813D+01  0.445203D+01 -0.236332D+01
      6   0.985698D+01 -0.107695D+02  0.604779D+01 -0.677312D+01  0.599290D+01
               106           107           108           109           110 
      1  -0.337122D+00  0.283402D+01 -0.275391D+01 -0.738891D+00 -0.319454D+00
      2  -0.200752D+01 -0.216967D+01 -0.181733D+01  0.143295D+01 -0.252937D+01
      3   0.234464D+01 -0.664352D+00  0.457124D+01 -0.694063D+00  0.284882D+01
      4  -0.130572D+02  0.566883D+01 -0.804997D+01 -0.773345D+00  0.413779D+01
      5   0.114973D+02 -0.506017D+01  0.833238D+01 -0.127477D+00 -0.977161D+00
      6  -0.967654D+01  0.882851D+01 -0.992024D+01  0.899253D-01 -0.235779D+01
               111           112           113           114           115 
      1   0.198768D+01 -0.771155D+00 -0.626925D+01 -0.147368D+01  0.297471D+00
      2  -0.235089D+01 -0.185417D+01  0.125970D+02  0.741559D+01 -0.247334D+01
      3   0.363211D+00  0.262532D+01 -0.632776D+01 -0.594192D+01  0.217587D+01
      4   0.320060D+00  0.480399D+01 -0.369928D+01 -0.313739D+01  0.396108D+01
      5   0.238882D+01 -0.820289D+00 -0.128924D+01 -0.109360D+01  0.744774D+00
      6   0.625081D+00 -0.250761D+01  0.455259D+01  0.975593D+01 -0.366166D+00
               116           117           118           119           120 
      1  -0.674743D+01 -0.299913D+01  0.174266D+00 -0.580847D+01 -0.392199D+01
      2   0.139431D+02  0.928204D+01  0.151298D-03  0.476136D+01  0.116587D+01
      3  -0.719568D+01 -0.628291D+01 -0.174417D+00  0.104711D+01  0.275611D+01
      4  -0.504798D+01 -0.158125D+01 -0.147431D+01  0.177939D+01  0.165964D+01
      5  -0.891749D+00 -0.215408D+01 -0.487185D+00  0.206419D+00  0.678550D+00
      6   0.775298D+01  0.152677D+02  0.284688D+01  0.280552D+01  0.516531D+01
               121           122           123           124           125 
      1  -0.321541D+01 -0.103473D+02 -0.804993D+01 -0.410669D+01 -0.109649D+02
      2   0.240101D+01  0.106698D+02  0.663321D+01  0.115331D+01  0.904055D+01
      3   0.814395D+00 -0.322551D+00  0.141672D+01  0.295338D+01  0.192434D+01
      4   0.355169D+01 -0.433353D+01 -0.392085D+01  0.513605D+01 -0.803751D+01
      5   0.922165D+00 -0.487999D+01 -0.683769D+01  0.313634D+01 -0.968870D+01
      6   0.109630D+01  0.115071D+02  0.152605D+02  0.189928D+01  0.184256D+02
               126           127           128           129           130 
      1  -0.186469D+02  0.485826D+02 -0.124534D+02  0.420230D+01 -0.585760D+01
      2   0.196965D+01 -0.181650D+02 -0.124040D+01 -0.188398D+01 -0.203768D+01
      3   0.166773D+02 -0.304176D+02  0.136938D+02 -0.231833D+01  0.789528D+01
      4  -0.587947D+01 -0.386797D+02  0.227111D+02 -0.287009D+01  0.152478D+02
      5  -0.173997D+02  0.565021D+00  0.479159D+00  0.798866D+01  0.175121D+00
      6   0.266622D+02 -0.183259D+01 -0.297711D+00 -0.439111D+01  0.921390D-01
               131           132           133           134           135 
      1   0.502930D+01 -0.441413D-01  0.619790D+01 -0.158263D+01  0.257590D+01
      2   0.232062D+01 -0.106987D+01 -0.250312D+01 -0.126261D+01 -0.122013D+01
      3  -0.734992D+01  0.111401D+01 -0.369478D+01  0.284524D+01 -0.135577D+01
      4  -0.985238D+01  0.148543D+01 -0.561054D+01  0.371584D+01 -0.457018D+01
      5   0.671277D+00 -0.194582D+01  0.712073D+01 -0.367185D+01  0.160140D+01
      6  -0.558094D+00  0.343650D+01 -0.307250D+01  0.431285D+01 -0.436062D+00
               136           137           138           139           140 
      1  -0.131809D+01 -0.933173D+01  0.511849D+01 -0.681794D+01 -0.115682D+02
      2   0.287860D+01  0.111236D+02 -0.431452D+01  0.710671D+01  0.164294D+02
      3  -0.156051D+01 -0.179183D+01 -0.803968D+00 -0.288764D+00 -0.486119D+01
      4   0.967945D+01 -0.158269D+00 -0.373882D+01  0.313624D+01 -0.143285D+01
      5   0.135850D+01  0.862795D+00 -0.259661D+01  0.112078D+01  0.272911D+01
      6  -0.518236D+01 -0.410730D+01  0.749089D+01 -0.305848D+01 -0.775568D+01
               141           142           143           144           145 
      1   0.593458D+01  0.612143D+01  0.877549D+01 -0.115309D+02  0.198705D+01
      2  -0.843737D+01 -0.421996D+01 -0.123126D+02  0.753703D+01 -0.707462D-01
      3   0.250278D+01 -0.190147D+01  0.353707D+01  0.399383D+01 -0.191630D+01
      4   0.114866D+00 -0.573806D+01  0.355720D+01  0.637199D-01  0.240809D+01
      5  -0.427896D+01 -0.106057D+01 -0.468712D+01  0.499283D+01  0.251247D+01
      6   0.988713D+01  0.503908D+01  0.112732D+02 -0.113164D+02  0.665789D+00
               146           147           148           149           150 
      1   0.271954D+01  0.290723D+01  0.389615D+01 -0.157160D+02 -0.353157D+01
      2  -0.155074D+01 -0.745048D+00 -0.164589D+01  0.282664D+02  0.132083D+01
      3  -0.116879D+01 -0.216218D+01 -0.225025D+01 -0.125504D+02  0.221074D+01
      4   0.429954D+01  0.234068D+00  0.749530D+01  0.282487D+02  0.626471D+01
      5   0.108611D+01  0.135028D+01  0.402186D+01  0.460397D+01  0.550860D+01
      6  -0.659501D+00 -0.405173D+00  0.172686D+01  0.196912D+02  0.963477D+01
               151           152           153           154           155 
      1   0.722545D+00 -0.295262D+01 -0.421169D+01 -0.339463D+01 -0.269327D+01
      2   0.360190D-01  0.151257D+01  0.215297D+01 -0.270748D+01 -0.477016D+00
      3  -0.758564D+00  0.144004D+01  0.205872D+01  0.610211D+01  0.317029D+01
      4   0.519481D-01  0.157849D+01  0.153061D+01 -0.213549D+01 -0.212545D+01
      5   0.138390D+01  0.206465D+01  0.466580D+00 -0.306928D+01 -0.141741D+01
      6  -0.524063D+00  0.758086D+01  0.225747D+01 -0.147561D+01 -0.387091D+01
               156           157           158           159           160 
      1   0.109907D+02 -0.400335D+01 -0.544658D+01  0.509682D+01  0.930521D+01
      2   0.352593D+01  0.922849D+00  0.202020D+01  0.377481D+01  0.999680D+00
      3  -0.145166D+02  0.308050D+01  0.342637D+01 -0.887163D+01 -0.103049D+02
      4   0.127448D+01 -0.905795D+00 -0.524452D+00  0.210420D+01  0.226011D+01
      5  -0.630560D+00 -0.264888D+01  0.256006D+00 -0.363039D+01  0.385990D+01
      6   0.629010D+00 -0.228220D+01 -0.266636D+01  0.482044D+01  0.897032D+00
               161           162           163           164           165 
      1   0.359121D+01 -0.163366D+02  0.513679D+02 -0.392030D+01  0.139478D+02
      2   0.257587D+01 -0.104524D+02 -0.329748D+02  0.277906D+01 -0.132540D+02
      3  -0.616707D+01  0.267890D+02 -0.183931D+02  0.114124D+01 -0.693825D+00
      4   0.320450D+01 -0.328895D+01  0.369972D+01  0.819056D+01  0.192001D+01
      5  -0.501761D+00  0.491982D+01  0.327739D+02 -0.168234D+01  0.197542D+02
      6   0.515650D+01 -0.172354D+01 -0.332861D+00  0.404330D+01  0.114581D+01
               166           167           168           169           170 
      1  -0.815578D+01  0.349915D+01 -0.165353D+01  0.848351D+01  0.246022D+00
      2   0.532942D+01 -0.553341D+00  0.318673D+01 -0.873653D+01  0.945526D+00
      3   0.282636D+01 -0.294581D+01 -0.153320D+01  0.253022D+00 -0.119155D+01
      4   0.683628D+01 -0.800743D+00  0.250934D+01  0.119705D+01  0.136729D+01
      5  -0.571898D+01  0.354457D+01 -0.442573D+01  0.149496D+02 -0.170389D+01
      6   0.308907D+01 -0.396939D+00  0.229257D+01  0.575320D+00  0.194875D+01
               171 
      1   0.560533D+01
      2  -0.859297D+01
      3   0.298764D+01
      4  -0.494086D+00
      5   0.102109D+02
      6  -0.100332D+00
 Leave Link  716 at Fri Aug 13 11:25:03 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.816673D+02  0.746313D+00 -0.149208D+01
      2   0.746313D+00  0.834100D+02  0.162188D+01
      3  -0.149208D+01  0.162188D+01  0.744946D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.171412D+01 -0.329640D+01 -0.135533D+01
      2   0.149667D+02 -0.224424D+01  0.257805D+02
      3   0.121047D+02 -0.270756D+02  0.259907D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.755132D+02 -0.268754D+02  0.277011D+02
      2  -0.382578D+02  0.125543D+02 -0.232160D+02
      3  -0.372554D+02  0.143212D+02 -0.448514D+01
      4  -0.158737D+02  0.368640D+02  0.377154D+01
      5   0.192575D+02  0.329332D+01  0.416136D+02
      6   0.809245D+01 -0.157000D+02  0.924163D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.603297D+01  0.216068D+01 -0.369904D+01  0.258043D+01  0.959416D+00
      2   0.216068D+01  0.115219D+01  0.346042D-01  0.959416D+00 -0.632243D+01
      3  -0.369904D+01  0.346042D-01  0.195013D+01  0.250218D+00 -0.832810D+00
                 6             7             8             9            10 
      1   0.250218D+00 -0.265325D+01  0.115779D+00  0.245802D+01  0.561540D+01
      2  -0.832810D+00  0.115779D+00  0.979540D-01  0.321129D+01 -0.325219D+01
      3   0.281567D+01  0.245802D+01  0.321129D+01  0.730277D+00  0.311334D+01
                11            12            13            14            15 
      1  -0.325219D+01  0.311334D+01 -0.451187D+01 -0.207755D+01  0.727776D+00
      2  -0.123881D+01  0.156338D+00 -0.207755D+01  0.421150D+01  0.108074D+01
      3   0.156338D+00 -0.273166D+01  0.727776D+00  0.108074D+01 -0.394289D+01
                16            17            18            19            20 
      1   0.556909D+01  0.174298D+00 -0.333117D+01 -0.552258D+01  0.465240D+01
      2   0.174298D+00  0.101178D+01 -0.446322D+01  0.465240D+01  0.178090D+01
      3  -0.333117D+01 -0.446322D+01 -0.100574D+01 -0.214863D+01 -0.102208D+01
                21            22            23            24            25 
      1  -0.214863D+01  0.217389D+01  0.121559D+01  0.322194D-02 -0.313870D+01
      2  -0.102208D+01  0.121559D+01 -0.204231D+01  0.823919D+00 -0.138456D+01
      3   0.113639D+01  0.322194D-02  0.823919D+00  0.286931D+01  0.148502D+01
                26            27            28            29            30 
      1  -0.138456D+01  0.148502D+01  0.565462D-01 -0.231544D+01 -0.784984D-02
      2  -0.113436D+01  0.357139D+01 -0.231544D+01  0.589338D+00  0.130361D+01
      3   0.357139D+01  0.374273D+01 -0.784984D-02  0.130361D+01  0.881340D-01
                31            32            33            34            35 
      1  -0.200191D+01 -0.524996D+00  0.231306D+01 -0.231360D+01  0.189446D+01
      2  -0.524996D+00 -0.505508D+00  0.943144D+00  0.189446D+01  0.522240D+00
      3   0.231306D+01  0.943144D+00 -0.309185D+01  0.101570D+01 -0.231892D+01
                36            37            38            39            40 
      1   0.101570D+01  0.428299D+01  0.710764D+00 -0.279986D+01  0.277247D+00
      2  -0.231892D+01  0.710764D+00  0.177336D+01 -0.146651D+01  0.855839D+00
      3  -0.309696D+01 -0.279986D+01 -0.146651D+01  0.108660D+01 -0.184645D+01
                41            42            43            44            45 
      1   0.855839D+00 -0.184645D+01 -0.414097D+01 -0.290143D+01  0.529762D+00
      2  -0.350610D+01 -0.223838D+01 -0.290143D+01 -0.401557D+01 -0.265475D+00
      3  -0.223838D+01  0.433924D+00  0.529762D+00 -0.265475D+00 -0.262674D+01
                46            47            48            49            50 
      1  -0.562845D+01  0.300368D+01 -0.216205D+01  0.189033D+01  0.202938D+01
      2   0.300368D+01  0.168208D+01  0.454434D-01  0.202938D+01 -0.339275D+01
      3  -0.216205D+01  0.454434D-01  0.277713D+01 -0.186421D+00 -0.501245D+00
                51            52            53            54            55 
      1  -0.186421D+00 -0.232986D+01 -0.772003D-01  0.236593D+01  0.422604D+01
      2  -0.501245D+00 -0.772003D-01  0.499498D-01  0.444353D+01 -0.210068D+01
      3   0.371264D+01  0.236593D+01  0.444353D+01  0.311814D+01  0.247038D+01
                56            57            58            59            60 
      1  -0.210068D+01  0.247038D+01 -0.879364D+00  0.572245D+00 -0.416686D+00
      2   0.131360D+01 -0.128716D+00  0.572245D+00  0.409266D+01 -0.164570D+01
      3  -0.128716D+00  0.152726D+01 -0.416686D+00 -0.164570D+01 -0.119225D+01
                61            62            63            64            65 
      1   0.252058D+01 -0.438488D+00  0.165358D+01 -0.367591D+01  0.179126D+01
      2  -0.438488D+00 -0.193166D+01 -0.879358D+00  0.179126D+01 -0.172399D+01
      3   0.165358D+01 -0.879358D+00 -0.338829D+01  0.306407D+01 -0.743336D+00
                66            67            68            69            70 
      1   0.306407D+01  0.288637D+01 -0.124540D+01 -0.123199D+01  0.469838D+01
      2  -0.743336D+00 -0.124540D+01  0.373167D+01  0.167162D+01 -0.547821D+00
      3  -0.175624D+01 -0.123199D+01  0.167162D+01  0.255424D+01 -0.288683D+01
                71            72            73            74            75 
      1  -0.547821D+00 -0.288683D+01  0.312621D+00 -0.789576D+00 -0.983457D+00
      2   0.294690D+01  0.202348D+01 -0.789576D+00 -0.223852D+00 -0.338811D-01
      3   0.202348D+01  0.777867D+01 -0.983457D+00 -0.338811D-01 -0.601579D+00
                76            77            78            79            80 
      1  -0.112712D+01 -0.303882D+00 -0.192056D+00 -0.109698D+01  0.794486D-01
      2  -0.303882D+00 -0.867350D+00 -0.157267D+01  0.794486D-01 -0.174641D+01
      3  -0.192056D+00 -0.157267D+01 -0.197381D+01 -0.938463D+00 -0.158684D+01
                81            82            83            84            85 
      1  -0.938463D+00  0.308885D+01  0.150019D+01 -0.245253D+01  0.238113D+01
      2  -0.158684D+01  0.150019D+01  0.166432D+01 -0.673936D+00  0.164470D+01
      3  -0.739959D+01 -0.245253D+01 -0.673936D+00  0.254363D+01 -0.863745D+00
                86            87            88            89            90 
      1   0.164470D+01 -0.863745D+00 -0.345011D+01 -0.676614D+00  0.266995D+01
      2   0.136645D+01 -0.144256D+01 -0.676614D+00 -0.176416D+01  0.179751D+01
      3  -0.144256D+01  0.193963D+01  0.266995D+01  0.179751D+01 -0.386032D+01
                91            92            93            94            95 
      1  -0.495276D+01 -0.343346D+01  0.151897D+01 -0.220529D+01 -0.216594D+01
      2  -0.343346D+01 -0.351131D+01  0.110504D+01 -0.216594D+01 -0.345742D+01
      3   0.151897D+01  0.110504D+01 -0.142961D+01  0.766124D+00  0.829010D+00
                96            97            98            99           100 
      1   0.766124D+00  0.331906D+01  0.247031D+01 -0.197473D+01 -0.476450D+01
      2   0.829010D+00  0.247031D+01  0.289577D+01 -0.163953D+01  0.302891D+01
      3  -0.966583D+00 -0.197473D+01 -0.163953D+01  0.170546D+01 -0.275900D+01
               101           102           103           104           105 
      1   0.302891D+01 -0.275900D+01  0.199905D+01 -0.153484D+01  0.777720D+00
      2  -0.251113D+01  0.148485D+01 -0.153484D+01  0.212479D+01 -0.903465D+00
      3   0.148485D+01 -0.209179D+01  0.777720D+00 -0.903465D+00  0.766620D+00
               106           107           108           109           110 
      1  -0.351064D+01  0.144070D+01 -0.207464D+01  0.814910D-01  0.579944D+00
      2   0.144070D+01 -0.189129D+01  0.145158D+01  0.579944D+00 -0.357902D+00
      3  -0.207464D+01  0.145158D+01 -0.230739D+01  0.220210D+00 -0.520234D+00
               111           112           113           114           115 
      1   0.220210D+00  0.809635D+00 -0.356868D+00 -0.612212D+00  0.128237D+01
      2  -0.520234D+00 -0.356868D+00  0.259537D+01  0.107627D+01 -0.582464D+00
      3   0.118740D+00 -0.612212D+00  0.107627D+01  0.190103D+01 -0.431442D-01
               116           117           118           119           120 
      1  -0.582464D+00 -0.431442D-01 -0.187354D-01 -0.800178D+00 -0.726816D+00
      2   0.306553D+01  0.166513D+01 -0.800178D+00 -0.943997D+00 -0.503079D+00
      3   0.166513D+01  0.367946D+01 -0.726816D+00 -0.503079D+00 -0.114702D+01
               121           122           123           124           125 
      1  -0.678739D+00 -0.295330D+00 -0.114176D+00 -0.120150D+01  0.111290D+00
      2  -0.295330D+00 -0.230038D+01 -0.194200D+01  0.111290D+00 -0.338230D+01
      3  -0.114176D+00 -0.194200D+01 -0.240312D+01 -0.557697D+00 -0.341006D+01
               126           127           128           129           130 
      1  -0.557697D+00  0.906556D+01 -0.343075D+01  0.870771D+00 -0.159660D+01
      2  -0.341006D+01 -0.343075D+01  0.272088D+01 -0.131971D+00  0.154099D+01
      3  -0.633643D+01  0.870771D+00 -0.131971D+00  0.108327D+01 -0.101359D+00
               131           132           133           134           135 
      1   0.154099D+01 -0.101359D+00  0.121016D+01 -0.459056D+00  0.934206D+00
      2  -0.111763D+01  0.207590D+00 -0.459056D+00  0.577157D+00 -0.884047D+00
      3   0.207590D+00 -0.484193D+00  0.934206D+00 -0.884047D+00  0.160547D+00
               136           137           138           139           140 
      1  -0.361533D+01 -0.737205D+00  0.141711D+01 -0.755608D+00 -0.987173D+00
      2  -0.737205D+00 -0.215377D+01  0.738366D+00 -0.987173D+00 -0.277429D+01
      3   0.141711D+01  0.738366D+00 -0.172414D+01  0.477286D+00  0.137130D+01
               141           142           143           144           145 
      1   0.477286D+00  0.173787D+01  0.464619D+00 -0.119852D+01  0.540111D+00
      2   0.137130D+01  0.464619D+00  0.278370D+01 -0.209782D+01  0.799596D+00
      3  -0.169687D+01 -0.119852D+01 -0.209782D+01  0.258728D+01  0.381291D+00
               146           147           148           149           150 
      1   0.799596D+00  0.381291D+00  0.139879D+01  0.295130D+00  0.512251D+00
      2  -0.172842D+00 -0.302337D-01  0.295130D+00  0.855085D+01  0.156627D+01
      3  -0.302337D-01 -0.367884D+00  0.512251D+00  0.156627D+01  0.174295D+01
               151           152           153           154           155 
      1   0.113998D+00  0.535546D-01 -0.318657D+00 -0.206681D+01 -0.711762D+00
      2   0.535546D-01  0.590896D+00  0.709254D+00 -0.711762D+00 -0.110947D+01
      3  -0.318657D+00  0.709254D+00  0.296644D+00  0.130951D+01  0.407602D+00
               156           157           158           159           160 
      1   0.130951D+01 -0.112841D+01 -0.644459D+00  0.286830D+00  0.149108D+01
      2   0.407602D+00 -0.644459D+00 -0.499999D+00  0.104862D+01  0.385600D+00
      3  -0.276285D+01  0.286830D+00  0.104862D+01 -0.210555D+01 -0.135518D+01
               161           162           163           164           165 
      1   0.385600D+00 -0.135518D+01  0.900842D+01 -0.656165D+00  0.337357D+01
      2   0.110423D+01 -0.929914D+00 -0.656165D+00  0.127042D+01 -0.218755D-01
      3  -0.929914D+00  0.480811D+01  0.337357D+01 -0.218755D-01  0.230150D+01
               166           167           168           169           170 
      1  -0.151197D+01  0.102314D+01 -0.549384D+00  0.189302D+01 -0.122436D+00
      2   0.102314D+01  0.112874D+00  0.460332D+00 -0.122436D+00  0.219648D+00
      3  -0.549384D+00  0.460332D+00 -0.878881D+00  0.156687D+01 -0.397987D+00
               171 
      1   0.156687D+01
      2  -0.397987D+00
      3   0.141414D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.590419D+01  0.154058D+01 -0.115213D+01  0.286482D+00 -0.102382D+02
      2   0.264374D+00 -0.222517D+01  0.127459D+02 -0.239705D+01 -0.307193D+01
      3  -0.853001D+01 -0.292574D+01 -0.329936D+01  0.172094D+01  0.124051D+02
                 6             7             8             9            10 
      1  -0.677064D+01 -0.141331D+01 -0.812635D+00  0.351925D+01  0.132751D+01
      2   0.525116D+01  0.717681D+01  0.626136D+01 -0.185016D+01  0.107488D+02
      3   0.167936D+01 -0.222857D+01 -0.287596D+00 -0.419357D+01  0.492512D+01
                11            12            13            14            15 
      1  -0.104341D+00 -0.379040D+00 -0.141500D+01 -0.944464D+00 -0.342986D+01
      2  -0.340890D-02  0.113291D+00 -0.331742D+01  0.814973D+00 -0.410842D+01
      3  -0.674558D+00 -0.196779D+01  0.581494D+01 -0.739373D+01  0.748498D+00
                16            17            18            19            20 
      1  -0.604329D+00  0.302269D+01  0.126411D+01 -0.312360D+01 -0.270310D+01
      2  -0.367595D+01 -0.446469D+01 -0.340195D+01 -0.582258D+01  0.954142D+00
      3   0.270007D+01  0.543440D+00  0.508902D+01 -0.438701D+00 -0.161434D+01
                21            22            23            24            25 
      1  -0.682011D+00 -0.109924D+01  0.442678D+01 -0.257780D+01  0.323601D+00
      2   0.107680D+01  0.119139D+01 -0.875512D+00  0.208591D+01 -0.977903D+01
      3   0.167702D+01  0.270599D+01 -0.150436D+01  0.156196D+01 -0.179451D+01
                26            27            28            29            30 
      1   0.337403D+01 -0.485487D+01  0.110534D+01  0.512193D+01  0.239171D+01
      2  -0.154295D+00 -0.137552D+00 -0.997238D+01 -0.338465D+01  0.219394D+01
      3   0.660279D+00  0.744273D+00 -0.862489D+01 -0.406428D+01  0.615503D+00
                31            32            33            34            35 
      1   0.246020D+01 -0.600432D+01 -0.122445D+01  0.125532D+01  0.522427D+00
      2   0.209581D+01  0.223388D+01 -0.124649D+01 -0.476720D+01 -0.176544D+01
      3   0.199019D+01  0.508057D+01 -0.508628D+01 -0.559252D+01 -0.114056D+02
                36            37            38            39            40 
      1   0.425030D+01 -0.348702D+01 -0.782733D+00  0.203401D-01 -0.534707D+00
      2   0.117888D+02  0.472203D+01  0.366301D+01 -0.207091D+00 -0.772620D+00
      3  -0.210039D+00 -0.398141D+01  0.101306D+01  0.758235D+00  0.599699D+01
                41            42            43            44            45 
      1   0.152701D+00 -0.481273D+01  0.337879D+01  0.399977D+01 -0.504181D+01
      2   0.307472D+01  0.858110D+00 -0.451301D+01  0.732064D+00  0.511592D+01
      3  -0.679432D+01 -0.187622D+01  0.212090D+01 -0.113912D+01 -0.295786D+01
                46            47            48            49            50 
      1  -0.532995D+01 -0.757623D+00  0.528515D+01 -0.107024D+01  0.109302D+01
      2  -0.638293D+01  0.716969D+00  0.564685D+01  0.189356D+00  0.114126D+00
      3   0.409117D+01 -0.127997D+02  0.381531D+01 -0.586510D+01  0.268761D+01
                51            52            53            54            55 
      1   0.578861D+01  0.324730D+01  0.118300D+02  0.475866D+01 -0.360578D+01
      2   0.609743D+01  0.127646D+01  0.766854D+01  0.581061D+01  0.530190D+01
      3   0.987069D+00  0.414362D+01  0.227965D+00 -0.124445D+02  0.921498D+01
                56            57            58            59            60 
      1   0.274754D+00 -0.499570D+01 -0.367523D-01 -0.227303D+01  0.322891D+00
      2  -0.138880D+01  0.501490D+01  0.226442D+00  0.188649D+01 -0.317580D+00
      3  -0.102100D+02  0.639175D+01  0.204374D+01  0.313369D+01 -0.988008D+00
                61            62            63            64            65 
      1  -0.481600D+01  0.972479D+01  0.964152D+01  0.447871D+00 -0.403007D+01
      2   0.130922D+00  0.832365D+00  0.196244D+01  0.294739D-01  0.210481D+01
      3   0.378477D+01 -0.146847D+01  0.417848D+01  0.338541D+01 -0.546479D+01
                66            67            68            69            70 
      1   0.324781D+00 -0.809581D+00  0.355247D+01 -0.162239D+01 -0.336343D+00
      2   0.504245D+01  0.303744D+00 -0.440334D+01 -0.226200D+01 -0.227387D+01
      3  -0.128465D+01  0.182844D+01  0.498564D+01  0.430325D+01  0.481676D+01
                71            72            73            74            75 
      1   0.719473D+01 -0.113139D+00  0.120809D+01  0.535822D+00  0.382821D+00
      2  -0.286025D+01 -0.140509D+02 -0.452692D-01 -0.565047D+00 -0.599554D-01
      3   0.866292D+01  0.252357D+01  0.314357D-01 -0.123778D+01 -0.808775D+00
                76            77            78            79            80 
      1   0.283782D+00  0.217389D+01  0.107068D+01 -0.970251D-01  0.497464D+01
      2  -0.163003D+01 -0.138360D+00 -0.136906D+00 -0.308030D+01  0.376822D+00
      3   0.138094D+01 -0.400009D+00 -0.719434D+00  0.504358D+00 -0.515592D+00
                81            82            83            84            85 
      1   0.292517D+01 -0.596321D+00 -0.165399D+01 -0.320950D+00 -0.386935D+00
      2  -0.619225D-01 -0.112565D+01 -0.104461D+00  0.396330D+01  0.162177D+01
      3  -0.103312D+01 -0.139848D+01 -0.402134D+01  0.676556D+00  0.516367D+00
                86            87            88            89            90 
      1  -0.914469D+00 -0.885530D+00 -0.107246D+00  0.250639D+01 -0.113362D+00
      2  -0.956136D+00  0.285055D+01 -0.124658D+01  0.224939D+01 -0.433039D+01
      3  -0.229311D+01  0.170913D+01 -0.118679D+01  0.313228D+01 -0.179630D+01
                91            92            93            94            95 
      1   0.321691D+01  0.193743D+01 -0.305844D+01  0.237171D+01  0.240105D+01
      2  -0.284018D+01 -0.285146D+01  0.353505D+01 -0.179488D+01 -0.254947D+01
      3   0.172390D+01 -0.249036D+01 -0.687890D+00  0.104465D+01 -0.243696D+01
                96            97            98            99           100 
      1  -0.213652D+01 -0.296444D+01 -0.153659D+01  0.322756D+01  0.306470D+01
      2   0.251153D+01  0.285867D+01  0.304692D+01 -0.443969D+01 -0.541120D+01
      3   0.334630D+00 -0.991037D+00  0.274537D+01 -0.360889D+00 -0.105556D+02
               101           102           103           104           105 
      1   0.670421D-01  0.397839D+01 -0.260629D+00 -0.369687D+00 -0.139776D+01
      2   0.227784D+01 -0.454015D+00  0.191835D+01 -0.132691D+01  0.171299D+00
      3   0.404527D+01 -0.589566D+01  0.529614D+01 -0.217496D+01  0.149838D+01
               106           107           108           109           110 
      1   0.299439D+01 -0.101595D+00  0.281388D+01 -0.138545D+01  0.130704D+01
      2  -0.403099D+01  0.947108D+00 -0.917404D+00 -0.826789D-01  0.476866D+00
      3  -0.808369D+01  0.201241D+01 -0.407870D+01  0.381995D+00 -0.199999D+00
               111           112           113           114           115 
      1   0.574861D+00  0.177084D+01 -0.514142D+01 -0.611568D+01  0.988963D+00
      2  -0.392703D-01  0.499671D+00 -0.972251D+00 -0.119740D+01 -0.137968D+01
      3   0.109324D+01  0.185944D+01 -0.430695D+00 -0.760833D+00  0.431523D+01
               116           117           118           119           120 
      1  -0.544780D+01 -0.129140D+02 -0.662352D+00  0.296239D+00 -0.238924D+01
      2  -0.122027D+01 -0.143335D+01 -0.165391D+01 -0.101984D+01 -0.147907D+01
      3  -0.571867D-01  0.112380D+00  0.230960D+01  0.215910D+01  0.191844D+01
               121           122           123           124           125 
      1  -0.521741D-01 -0.164806D+01 -0.509428D+01 -0.164036D+01 -0.142031D+01
      2  -0.119740D+01 -0.328917D+01 -0.387055D+01 -0.419725D+01 -0.491210D+01
      3   0.338979D+01  0.421232D+01  0.374127D+01  0.317421D+01  0.530598D+01
               126           127           128           129           130 
      1  -0.106212D+02  0.300486D+01 -0.885951D+00  0.287327D+01 -0.958223D+00
      2  -0.100652D+02  0.460471D+01 -0.123353D+01  0.499981D+01 -0.605419D+00
      3   0.731594D+01 -0.107481D+02 -0.239553D+01 -0.156505D+01  0.204287D+01
               131           132           133           134           135 
      1   0.804709D+00 -0.195038D+01  0.147066D+01 -0.660703D+00  0.846601D+00
      2   0.116078D+01 -0.143583D+01  0.112334D+01 -0.162069D+01  0.101100D+01
      3  -0.392524D+00 -0.315105D+00 -0.170718D+01 -0.833845D+00  0.486719D+00
               136           137           138           139           140 
      1   0.364371D+01  0.118733D+01 -0.440462D+01  0.144556D+01  0.313899D+01
      2   0.290952D+01  0.944787D+00 -0.162397D+01  0.124707D+01  0.205930D+01
      3   0.119653D+02  0.389680D+01 -0.454250D+01  0.517509D+01  0.633593D+01
               141           142           143           144           145 
      1  -0.526352D+01 -0.279260D+01 -0.255550D+01  0.619838D+01  0.787659D+00
      2  -0.221223D+01 -0.372050D+01 -0.315904D+01  0.340204D+01  0.105779D+01
      3  -0.389546D+01 -0.564056D+01 -0.511995D+01  0.631706D+01 -0.129495D+01
               146           147           148           149           150 
      1  -0.984221D+00  0.795445D+00 -0.118845D+01  0.114523D+02 -0.277301D+01
      2  -0.954330D+00 -0.521712D+00 -0.170786D+01  0.342467D+01  0.264340D+01
      3   0.665761D+00 -0.107103D-01  0.420910D+01 -0.156907D+02 -0.152315D+01
               151           152           153           154           155 
      1   0.846697D+00  0.989891D+00  0.712596D+00 -0.221371D+01 -0.302188D+01
      2  -0.180379D+01  0.120498D+01  0.580494D+00  0.890625D+01  0.224165D+01
      3  -0.127405D+00 -0.597792D+00 -0.191150D+01  0.308975D+00  0.376767D+00
               156           157           158           159           160 
      1   0.199278D+01 -0.122929D+01 -0.192608D+01  0.153336D+01  0.196455D+01
      2  -0.587293D+01  0.306073D+01  0.291590D+01 -0.392878D+01 -0.742129D+01
      3   0.425334D+00  0.151001D+01  0.105019D+00 -0.138457D+01  0.219734D+00
               161           162           163           164           165 
      1   0.445178D+01 -0.445112D+01 -0.330665D+01  0.265576D+01 -0.123742D+01
      2  -0.279374D+01  0.104400D+02 -0.595400D+01  0.116235D+01  0.317403D+01
      3  -0.857125D+00  0.385984D+00  0.686241D+01 -0.576780D+01  0.188032D+01
               166           167           168           169           170 
      1   0.116856D+01 -0.547931D+00  0.906813D-01 -0.132682D+01  0.165352D+01
      2   0.106834D+01 -0.101759D+00 -0.175320D+01 -0.151417D+01 -0.738984D+00
      3  -0.182313D+01  0.935456D+00 -0.760142D+00  0.157262D+01 -0.100841D+01
               171 
      1  -0.123786D+01
      2   0.132291D+01
      3   0.183308D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.272245D+02  0.954220D+01 -0.233675D+02  0.116389D+02  0.111819D+02
      2   0.231355D+02 -0.340083D+01  0.487599D+01 -0.587294D+01 -0.168142D+02
      3   0.408903D+01 -0.614137D+01  0.184915D+02 -0.576596D+01  0.563239D+01
      4   0.391058D+01  0.558145D+01 -0.136759D+01  0.490237D+01 -0.200335D+02
      5  -0.241822D+02  0.498941D+01 -0.333303D+01  0.678513D+01 -0.859136D+00
      6   0.228601D+01  0.287640D+01 -0.162015D+00  0.171995D+01 -0.106616D+02
                 6             7             8             9            10 
      1  -0.211226D+01 -0.179496D+02 -0.312081D+01  0.610060D+01  0.787712D+01
      2  -0.841481D+01  0.358631D+01 -0.635345D+01 -0.159706D+01 -0.297248D+01
      3   0.105271D+02  0.143633D+02  0.947427D+01 -0.450354D+01 -0.490464D+01
      4  -0.203862D+01 -0.503720D+00  0.661055D+00  0.116584D+02 -0.117630D+02
      5   0.740847D+01 -0.278487D+00  0.887603D+01  0.812661D+01  0.159722D+02
      6   0.118721D+01  0.167332D+01  0.917168D+00  0.833713D+01  0.552787D+01
                11            12            13            14            15 
      1  -0.120361D+02  0.130194D+02 -0.929593D+01 -0.209432D+01  0.297467D+01
      2   0.114145D+02 -0.749936D+01  0.104527D+02 -0.460961D+01 -0.111208D+01
      3   0.621609D+00 -0.552008D+01 -0.115680D+01  0.670393D+01 -0.186259D+01
      4  -0.249980D+01  0.217758D+01 -0.582499D+01  0.117839D+02  0.445444D+01
      5   0.261515D+01 -0.101303D+02  0.956784D-01  0.714427D+01 -0.123983D+02
      6  -0.878420D+00 -0.780405D+00  0.152625D+01 -0.257501D+01 -0.200999D+01
                16            17            18            19            20 
      1   0.105377D+02  0.127022D+01 -0.115193D+02 -0.108813D+02 -0.643109D+01
      2  -0.673939D+01 -0.226815D+01  0.901812D+01  0.829897D+01  0.784121D+01
      3  -0.379833D+01  0.997933D+00  0.250116D+01  0.258233D+01 -0.141012D+01
      4  -0.973216D+00 -0.252307D+00 -0.129083D+02  0.115943D+01 -0.198085D+01
      5  -0.119202D+02 -0.133021D+02  0.506488D+00 -0.593336D+01 -0.582333D+00
      6  -0.295630D+01  0.973433D-01  0.764612D+00 -0.733578D+01 -0.508566D+01
                21            22            23            24            25 
      1   0.376297D+01  0.293648D+01  0.951975D+01  0.225225D+01  0.340161D+00
      2   0.120366D+01 -0.750844D+00 -0.114336D+02  0.639278D+01  0.131652D+01
      3  -0.496663D+01 -0.218563D+01  0.191383D+01 -0.864503D+01 -0.165668D+01
      4  -0.209330D+00 -0.796362D+01 -0.192003D+01  0.165191D+01  0.458171D+01
      5   0.591242D+00  0.461963D+01 -0.105107D+01  0.602959D+00  0.229765D+01
      6   0.248523D+01  0.189997D+01  0.911389D+01 -0.715115D+01  0.277668D-01
                26            27            28            29            30 
      1   0.705558D+01  0.708753D+01 -0.663393D+00  0.264193D+01 -0.134360D+01
      2   0.340561D+01  0.104393D+02  0.129866D+01 -0.413735D+01 -0.684950D+01
      3  -0.104612D+02 -0.175269D+02 -0.635270D+00  0.149542D+01  0.819310D+01
      4   0.113866D+01 -0.144914D+01  0.369059D+01 -0.258168D+01 -0.750583D+01
      5  -0.134915D+01 -0.496110D+01  0.616629D+01 -0.686209D+01 -0.404554D+01
      6   0.194233D+01 -0.567297D+01 -0.307397D+01 -0.663602D+00  0.106818D+01
                31            32            33            34            35 
      1   0.568663D+01  0.446905D+01 -0.654952D+01  0.965888D+01 -0.459882D+01
      2  -0.637142D+01 -0.957583D+01  0.977336D+01 -0.929052D+01 -0.128755D+01
      3   0.684782D+00  0.510678D+01 -0.322383D+01 -0.368360D+00  0.588637D+01
      4  -0.521864D+01 -0.217656D+01 -0.419184D+01 -0.116543D+02  0.486212D+01
      5  -0.174939D+02 -0.373968D+01  0.445197D+01 -0.109161D+02  0.426996D+01
      6  -0.432781D+01 -0.739436D+01 -0.120281D+01 -0.360728D+00 -0.296815D+01
                36            37            38            39            40 
      1  -0.667210D+00 -0.200246D+01 -0.439663D+00  0.823214D+01 -0.259282D+01
      2   0.871312D+01  0.177191D+00 -0.143992D+01 -0.206908D+01  0.184851D+01
      3  -0.804591D+01  0.182527D+01  0.187959D+01 -0.616306D+01  0.744314D+00
      4   0.582213D+01 -0.107455D+02 -0.120965D+01  0.118242D+02  0.617770D+01
      5   0.189448D+02  0.118363D+02  0.783156D+01  0.201218D+01  0.106255D+02
      6  -0.334678D+01  0.850680D+01  0.695223D+01 -0.158323D+01  0.665439D+01
                41            42            43            44            45 
      1  -0.149451D+02  0.333212D+01  0.120332D+02  0.572504D+01 -0.476771D+01
      2   0.248696D+02  0.510042D+00 -0.205291D+01  0.340179D+01 -0.460802D+00
      3  -0.992451D+01 -0.384216D+01 -0.998034D+01 -0.912684D+01  0.522852D+01
      4   0.112510D+02  0.974448D+01  0.189544D+02  0.163235D+02 -0.965262D+00
      5   0.104603D+02  0.275757D+01  0.260302D+01  0.265904D+01  0.109442D+02
      6   0.894615D+01  0.643614D+01 -0.152587D+01  0.659360D+01  0.869857D+01
                46            47            48            49            50 
      1  -0.267800D+02  0.211568D+02 -0.863080D+01  0.141148D+02  0.822834D+00
      2   0.692199D+01 -0.150688D+02  0.745119D+01 -0.121295D+02  0.109103D+02
      3   0.198580D+02 -0.608794D+01  0.117961D+01 -0.198534D+01 -0.117332D+02
      4   0.240736D+02 -0.563046D+01  0.673115D+01 -0.179555D+01 -0.144449D+02
      5  -0.554346D+01  0.647413D+00  0.851975D+01  0.224717D+00 -0.387900D+01
      6   0.565402D+01  0.166270D+01 -0.110059D+02  0.132921D+00  0.312715D+01
                51            52            53            54            55 
      1   0.120794D+01 -0.988102D+01  0.256352D+01  0.211673D+02  0.851933D+01
      2   0.477335D+01  0.723404D+01  0.463185D+01 -0.142280D+02 -0.389621D+01
      3  -0.598129D+01  0.264698D+01 -0.719537D+01 -0.693926D+01 -0.462312D+01
      4  -0.979112D+00  0.698530D+01  0.133521D+01  0.410246D+01  0.147594D+02
      5   0.100468D+02  0.773151D+01  0.112655D+02  0.856272D+01 -0.975007D+01
      6  -0.141070D+02 -0.781600D+01 -0.164238D+02 -0.115302D+02  0.120815D+02
                56            57            58            59            60 
      1   0.237650D+01 -0.357359D+01 -0.139457D+01 -0.190506D+02  0.579955D+01
      2   0.562239D+00  0.484793D+01  0.399072D+01  0.298574D+02 -0.104382D+02
      3  -0.293874D+01 -0.127435D+01 -0.259615D+01 -0.108068D+02  0.463864D+01
      4  -0.507998D+01  0.897520D+01  0.243225D+01  0.534371D+01 -0.137112D+01
      5   0.556708D+01 -0.407028D+01  0.175342D+01 -0.160177D+01  0.955610D+00
      6  -0.237941D+01  0.669039D+01 -0.368055D+01 -0.160671D+02  0.330344D+01
                61            62            63            64            65 
      1  -0.406178D+00  0.797412D+01 -0.603269D+01  0.224561D+02 -0.345335D+01
      2   0.433744D+01 -0.109548D+02 -0.910868D+01 -0.163675D+02  0.186964D+01
      3  -0.393126D+01  0.298072D+01  0.151414D+02 -0.608857D+01  0.158372D+01
      4   0.717535D+01  0.123384D+01  0.846961D+01 -0.871832D+01  0.125312D+02
      5  -0.176670D+01  0.355340D+01 -0.361934D+01 -0.169822D+02  0.631819D+01
      6   0.840749D+01  0.388120D+00 -0.143565D+02  0.329666D+01 -0.210255D+01
                66            67            68            69            70 
      1  -0.897342D+01 -0.784249D+01 -0.208126D+01  0.155430D+01 -0.111573D+02
      2   0.109395D+02  0.518247D+01  0.349679D+01 -0.568684D+01  0.109539D+02
      3  -0.196612D+01  0.266003D+01 -0.141553D+01  0.413253D+01  0.203383D+00
      4   0.548679D+01  0.114992D+02 -0.120395D+02 -0.743917D+01  0.640166D+01
      5   0.164720D+02  0.918189D+01 -0.726593D+01 -0.791563D+01  0.217078D+02
      6  -0.328885D+01 -0.349536D+01  0.438373D+01  0.987290D+01 -0.189652D+01
                71            72            73            74            75 
      1  -0.200985D+01 -0.345550D+01  0.710067D+00  0.610679D+00 -0.250872D+00
      2  -0.116175D+01 -0.222623D+02 -0.444455D+01 -0.100538D+01 -0.203340D+01
      3   0.317160D+01  0.257178D+02  0.373448D+01  0.394700D+00  0.228427D+01
      4  -0.120508D+02 -0.932770D+01  0.165598D+00  0.200406D+01  0.417426D+00
      5  -0.711299D+01 -0.303281D+02  0.235791D+01  0.136001D+01  0.670951D+01
      6   0.873988D+01  0.714220D+01  0.142225D+01  0.234626D+00  0.310167D+00
                76            77            78            79            80 
      1   0.309008D+00 -0.439194D+01 -0.466836D+01 -0.108831D+01 -0.275392D+01
      2  -0.850978D+00 -0.682330D+00 -0.362752D+01 -0.165276D+01 -0.451867D+01
      3   0.541970D+00  0.507427D+01  0.829588D+01  0.274107D+01  0.727259D+01
      4   0.215937D+01  0.341679D+00  0.423110D+00  0.137465D+00  0.850215D+00
      5   0.442360D+00  0.709200D+00  0.183549D+01  0.530701D+01  0.114132D+01
      6   0.421243D+00  0.354861D+01  0.714892D+01 -0.606014D-01  0.617991D+01
                81            82            83            84            85 
      1  -0.173553D+02  0.168390D+02  0.618062D+01 -0.963147D+01  0.602710D+01
      2  -0.167565D+02 -0.113802D+02 -0.446529D+01  0.747924D+01 -0.354477D+01
      3   0.341119D+02 -0.545875D+01 -0.171532D+01  0.215223D+01 -0.248233D+01
      4   0.322860D+00  0.925731D+01  0.865897D+01 -0.466485D+01  0.932622D+01
      5   0.577617D+01 -0.157166D+02 -0.505080D+01  0.149105D+02 -0.552111D+01
      6   0.370381D+01 -0.364753D+01 -0.255820D+01  0.309299D+01 -0.375929D+01
                86            87            88            89            90 
      1   0.263147D+01 -0.218162D+01 -0.818759D+01 -0.155822D+01  0.452458D+01
      2   0.414331D-01  0.131137D+01  0.847876D+01  0.327471D+01 -0.113596D+02
      3  -0.267290D+01  0.870248D+00 -0.291175D+00 -0.171649D+01  0.683505D+01
      4   0.710034D+01 -0.646610D+01 -0.421962D+01 -0.601481D+01  0.713837D+01
      5  -0.677139D+01  0.808985D+01  0.157206D+02  0.756398D+01 -0.187469D+02
      6  -0.454200D+01  0.619694D+01  0.345341D+01  0.538478D+01 -0.601861D+01
                91            92            93            94            95 
      1   0.201627D+02  0.108283D+02 -0.632333D+01  0.405309D+01  0.237981D+01
      2  -0.547595D+01 -0.360108D+00  0.186408D+01  0.271730D+01  0.637550D+01
      3  -0.146867D+02 -0.104682D+02  0.445925D+01 -0.677039D+01 -0.875531D+01
      4   0.224333D+02  0.188431D+02 -0.710646D+01  0.136089D+02  0.157883D+02
      5  -0.769221D+01 -0.498028D+01  0.653995D+01 -0.277703D+01 -0.323350D+01
      6  -0.524484D+01 -0.347071D+01  0.368314D+01 -0.278768D+01 -0.385832D+01
                96            97            98            99           100 
      1  -0.545367D+00 -0.958952D+01 -0.482728D+01  0.355253D+01  0.321695D+01
      2  -0.166751D+01  0.257476D+01 -0.152360D+01 -0.919479D+00 -0.133983D+00
      3   0.221288D+01  0.701476D+01  0.635088D+01 -0.263305D+01 -0.308297D+01
      4  -0.485777D+01 -0.150855D+02 -0.140933D+02  0.940615D+01 -0.202011D+02
      5   0.323214D+01  0.954913D+01  0.732183D+01 -0.766777D+01  0.144493D+02
      6   0.373928D+01  0.702891D+01  0.727967D+01 -0.679030D+01 -0.142522D+02
               101           102           103           104           105 
      1   0.182535D+01 -0.141668D+00  0.787307D+00 -0.322945D+01  0.157650D+01
      2  -0.517390D+01 -0.135895D+01 -0.389843D+01  0.702790D+01 -0.247538D+01
      3   0.334855D+01  0.150062D+01  0.311112D+01 -0.379845D+01  0.898882D+00
      4   0.159391D+02 -0.119357D+02  0.121985D+02 -0.785355D+01  0.415740D+01
      5  -0.878901D+01  0.113853D+02 -0.498813D+01  0.445203D+01 -0.236332D+01
      6   0.985698D+01 -0.107695D+02  0.604779D+01 -0.677312D+01  0.599290D+01
               106           107           108           109           110 
      1  -0.337122D+00  0.283402D+01 -0.275391D+01 -0.738891D+00 -0.319454D+00
      2  -0.200752D+01 -0.216967D+01 -0.181733D+01  0.143295D+01 -0.252937D+01
      3   0.234464D+01 -0.664352D+00  0.457124D+01 -0.694063D+00  0.284882D+01
      4  -0.130572D+02  0.566883D+01 -0.804997D+01 -0.773345D+00  0.413779D+01
      5   0.114973D+02 -0.506017D+01  0.833238D+01 -0.127477D+00 -0.977161D+00
      6  -0.967654D+01  0.882851D+01 -0.992024D+01  0.899253D-01 -0.235779D+01
               111           112           113           114           115 
      1   0.198768D+01 -0.771155D+00 -0.626925D+01 -0.147368D+01  0.297471D+00
      2  -0.235089D+01 -0.185417D+01  0.125970D+02  0.741559D+01 -0.247334D+01
      3   0.363211D+00  0.262532D+01 -0.632776D+01 -0.594192D+01  0.217587D+01
      4   0.320060D+00  0.480399D+01 -0.369928D+01 -0.313739D+01  0.396108D+01
      5   0.238882D+01 -0.820289D+00 -0.128924D+01 -0.109360D+01  0.744774D+00
      6   0.625081D+00 -0.250761D+01  0.455259D+01  0.975593D+01 -0.366166D+00
               116           117           118           119           120 
      1  -0.674743D+01 -0.299913D+01  0.174266D+00 -0.580847D+01 -0.392199D+01
      2   0.139431D+02  0.928204D+01  0.151298D-03  0.476136D+01  0.116587D+01
      3  -0.719568D+01 -0.628291D+01 -0.174417D+00  0.104711D+01  0.275611D+01
      4  -0.504798D+01 -0.158125D+01 -0.147431D+01  0.177939D+01  0.165964D+01
      5  -0.891749D+00 -0.215408D+01 -0.487185D+00  0.206419D+00  0.678550D+00
      6   0.775298D+01  0.152677D+02  0.284688D+01  0.280552D+01  0.516531D+01
               121           122           123           124           125 
      1  -0.321541D+01 -0.103473D+02 -0.804993D+01 -0.410669D+01 -0.109649D+02
      2   0.240101D+01  0.106698D+02  0.663321D+01  0.115331D+01  0.904055D+01
      3   0.814395D+00 -0.322551D+00  0.141672D+01  0.295338D+01  0.192434D+01
      4   0.355169D+01 -0.433353D+01 -0.392085D+01  0.513605D+01 -0.803751D+01
      5   0.922165D+00 -0.487999D+01 -0.683769D+01  0.313634D+01 -0.968870D+01
      6   0.109630D+01  0.115071D+02  0.152605D+02  0.189928D+01  0.184256D+02
               126           127           128           129           130 
      1  -0.186469D+02  0.485826D+02 -0.124534D+02  0.420230D+01 -0.585760D+01
      2   0.196965D+01 -0.181650D+02 -0.124040D+01 -0.188398D+01 -0.203768D+01
      3   0.166773D+02 -0.304176D+02  0.136938D+02 -0.231833D+01  0.789528D+01
      4  -0.587947D+01 -0.386797D+02  0.227111D+02 -0.287009D+01  0.152478D+02
      5  -0.173997D+02  0.565021D+00  0.479159D+00  0.798866D+01  0.175121D+00
      6   0.266622D+02 -0.183259D+01 -0.297711D+00 -0.439111D+01  0.921390D-01
               131           132           133           134           135 
      1   0.502930D+01 -0.441413D-01  0.619790D+01 -0.158263D+01  0.257590D+01
      2   0.232062D+01 -0.106987D+01 -0.250312D+01 -0.126261D+01 -0.122013D+01
      3  -0.734992D+01  0.111401D+01 -0.369478D+01  0.284524D+01 -0.135577D+01
      4  -0.985238D+01  0.148543D+01 -0.561054D+01  0.371584D+01 -0.457018D+01
      5   0.671277D+00 -0.194582D+01  0.712073D+01 -0.367185D+01  0.160140D+01
      6  -0.558094D+00  0.343650D+01 -0.307250D+01  0.431285D+01 -0.436062D+00
               136           137           138           139           140 
      1  -0.131809D+01 -0.933173D+01  0.511849D+01 -0.681794D+01 -0.115682D+02
      2   0.287860D+01  0.111236D+02 -0.431452D+01  0.710671D+01  0.164294D+02
      3  -0.156051D+01 -0.179183D+01 -0.803968D+00 -0.288764D+00 -0.486119D+01
      4   0.967945D+01 -0.158269D+00 -0.373882D+01  0.313624D+01 -0.143285D+01
      5   0.135850D+01  0.862795D+00 -0.259661D+01  0.112078D+01  0.272911D+01
      6  -0.518236D+01 -0.410730D+01  0.749089D+01 -0.305848D+01 -0.775568D+01
               141           142           143           144           145 
      1   0.593458D+01  0.612143D+01  0.877549D+01 -0.115309D+02  0.198705D+01
      2  -0.843737D+01 -0.421996D+01 -0.123126D+02  0.753703D+01 -0.707462D-01
      3   0.250278D+01 -0.190147D+01  0.353707D+01  0.399383D+01 -0.191630D+01
      4   0.114866D+00 -0.573806D+01  0.355720D+01  0.637199D-01  0.240809D+01
      5  -0.427896D+01 -0.106057D+01 -0.468712D+01  0.499283D+01  0.251247D+01
      6   0.988713D+01  0.503908D+01  0.112732D+02 -0.113164D+02  0.665789D+00
               146           147           148           149           150 
      1   0.271954D+01  0.290723D+01  0.389615D+01 -0.157160D+02 -0.353157D+01
      2  -0.155074D+01 -0.745048D+00 -0.164589D+01  0.282664D+02  0.132083D+01
      3  -0.116879D+01 -0.216218D+01 -0.225025D+01 -0.125504D+02  0.221074D+01
      4   0.429954D+01  0.234068D+00  0.749530D+01  0.282487D+02  0.626471D+01
      5   0.108611D+01  0.135028D+01  0.402186D+01  0.460397D+01  0.550860D+01
      6  -0.659501D+00 -0.405173D+00  0.172686D+01  0.196912D+02  0.963477D+01
               151           152           153           154           155 
      1   0.722545D+00 -0.295262D+01 -0.421169D+01 -0.339463D+01 -0.269327D+01
      2   0.360190D-01  0.151257D+01  0.215297D+01 -0.270748D+01 -0.477016D+00
      3  -0.758564D+00  0.144004D+01  0.205872D+01  0.610211D+01  0.317029D+01
      4   0.519481D-01  0.157849D+01  0.153061D+01 -0.213549D+01 -0.212545D+01
      5   0.138390D+01  0.206465D+01  0.466580D+00 -0.306928D+01 -0.141741D+01
      6  -0.524063D+00  0.758086D+01  0.225747D+01 -0.147561D+01 -0.387091D+01
               156           157           158           159           160 
      1   0.109907D+02 -0.400335D+01 -0.544658D+01  0.509682D+01  0.930521D+01
      2   0.352593D+01  0.922849D+00  0.202020D+01  0.377481D+01  0.999680D+00
      3  -0.145166D+02  0.308050D+01  0.342637D+01 -0.887163D+01 -0.103049D+02
      4   0.127448D+01 -0.905795D+00 -0.524452D+00  0.210420D+01  0.226011D+01
      5  -0.630560D+00 -0.264888D+01  0.256006D+00 -0.363039D+01  0.385990D+01
      6   0.629010D+00 -0.228220D+01 -0.266636D+01  0.482044D+01  0.897032D+00
               161           162           163           164           165 
      1   0.359121D+01 -0.163366D+02  0.513679D+02 -0.392030D+01  0.139478D+02
      2   0.257587D+01 -0.104524D+02 -0.329748D+02  0.277906D+01 -0.132540D+02
      3  -0.616707D+01  0.267890D+02 -0.183931D+02  0.114124D+01 -0.693825D+00
      4   0.320450D+01 -0.328895D+01  0.369972D+01  0.819056D+01  0.192001D+01
      5  -0.501761D+00  0.491982D+01  0.327739D+02 -0.168234D+01  0.197542D+02
      6   0.515650D+01 -0.172354D+01 -0.332861D+00  0.404330D+01  0.114581D+01
               166           167           168           169           170 
      1  -0.815578D+01  0.349915D+01 -0.165353D+01  0.848351D+01  0.246022D+00
      2   0.532942D+01 -0.553341D+00  0.318673D+01 -0.873653D+01  0.945526D+00
      3   0.282636D+01 -0.294581D+01 -0.153320D+01  0.253022D+00 -0.119155D+01
      4   0.683628D+01 -0.800743D+00  0.250934D+01  0.119705D+01  0.136729D+01
      5  -0.571898D+01  0.354457D+01 -0.442573D+01  0.149496D+02 -0.170389D+01
      6   0.308907D+01 -0.396939D+00  0.229257D+01  0.575320D+00  0.194875D+01
               171 
      1   0.560533D+01
      2  -0.859297D+01
      3   0.298764D+01
      4  -0.494086D+00
      5   0.102109D+02
      6  -0.100332D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x         -0.109650D+00     -0.278702D+00     -0.929648D+00
   y         -0.457292D+00     -0.116232D+01     -0.387708D+01
   z         -0.267850D+00     -0.680806D+00     -0.227092D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.762568D+02      0.113001D+02      0.125730D+02
   yx         0.346321D+00      0.513194D-01      0.571006D-01
   yy         0.779479D+02      0.115507D+02      0.128519D+02
   zx        -0.836962D+00     -0.124025D+00     -0.137996D+00
   zy         0.191988D+01      0.284497D+00      0.316546D+00
   zz         0.693001D+02      0.102692D+02      0.114260D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.798573D+02      0.118336D+02      0.131667D+02
   aniso      0.912280D+01      0.135186D+01      0.150415D+01
   xx         0.816673D+02      0.121018D+02      0.134651D+02
   yx         0.746313D+00      0.110592D+00      0.123050D+00
   yy         0.834100D+02      0.123601D+02      0.137525D+02
   zx        -0.149208D+01     -0.221104D+00     -0.246011D+00
   zy         0.162188D+01      0.240338D+00      0.267412D+00
   zz         0.744946D+02      0.110390D+02      0.122825D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.46198459          1.55153967         -2.59925220
     6          2.50851882         -0.15917674         -0.27289861
     6          0.00329269         -1.63251163          0.10092582
     6         -2.19068596          0.16063754          0.61910387
     8         -2.49562424          0.65201829          3.10915244
     6          3.29311304          1.30847957          2.08713192
     7         -0.48322095         -3.26558812         -2.06158702
     8         -3.53441491          1.07528940         -0.97476283
     1          0.23863234         -2.82160049          1.76885208
     1          3.90049359         -1.64920369         -0.60709623
     1         -3.88994040          1.83523985          3.25791193
     1         -1.85254447         -4.53535317         -1.63761635
     1         -1.15597001         -2.21939862         -3.52004944
     1          3.29399582          0.10845228          3.76474714
     1          5.19447232          2.06873217          1.84427650
     1          2.02893407          2.89589396          2.45584364
     1          2.05765159          0.49057432         -4.31837194
     1          1.04822876          3.04277518         -2.41637721
     1          4.30156265          2.45073838         -2.84619311

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541186D+00      0.137556D+01      0.458837D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.763352D+02      0.113117D+02      0.125860D+02
   yx         0.460727D+00      0.682727D-01      0.759636D-01
   yy         0.698529D+02      0.103511D+02      0.115172D+02
   zx        -0.450909D-02     -0.668178D-03     -0.743448D-03
   zy         0.297530D+01      0.440894D+00      0.490560D+00
   zz         0.773167D+02      0.114572D+02      0.127478D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.798573D+02      0.118336D+02      0.131667D+02
   aniso      0.912280D+01      0.135186D+01      0.150415D+01
   xx         0.818927D+02      0.121352D+02      0.135023D+02
   yx        -0.233548D+00     -0.346083D-01     -0.385069D-01
   yy         0.752118D+02      0.111452D+02      0.124007D+02
   zx        -0.120050D+00     -0.177895D-01     -0.197935D-01
   zy         0.337703D+01      0.500425D+00      0.556798D+00
   zz         0.824675D+02      0.122204D+02      0.135970D+02

 ----------------------------------------------------------------------
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 We find comfort among those who agree with us -- growth among those who don't.
 -- Frank A. Clark
 Job cpu time:       0 days  5 hours  3 minutes  1.8 seconds.
 Elapsed time:       0 days  0 hours 37 minutes 55.2 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:25:03 2021.
